Methyl 3-Hydroxyisonicotinate 3-羟基异烟酸甲酯

CAS 10128-72-0 MFCD00661299

化学结构图

10128-72-0
SMILES: COC(=O)C1=CC=NC=C1O

化学属性

Mol. FormulaC7H7NO3
Mol. Weight153
Melting Point74-76°
Density1.287

别名和识别编码

Chemical NameMethyl 3-Hydroxyisonicotinate
CAS Number10128-72-0
Alfabeta NameMETHYLHYDROXYISONICOTINATE 3-
MDL NumberMFCD00661299
Synonym 3-Hydroxy-isonicotinic acid methyl ester 3-Hydroxy-4-pyridinecarboxylic acid methyl ester
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation3-羟基异烟酸甲酯
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; ester; alcohol; 1fragment
  • {KO} HeteroArylOH
  • {KO} Esters

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
2
LogP
6.453000000000000e-001

系列性分类

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