3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid

C15H11NO5 — CID 19700797

IUPAC3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(C(=O)c2cccnc2C(=O)O)c1
InChIInChI=1S/C15H11NO5/c1-21-15(20)10-5-2-4-9(8-10)13(17)11-6-3-7-16-12(11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyGOJNDWPBAMAOQE-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.80
Rot. Bonds4

About 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid

3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid (PubChem CID 19700797) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
PubChem CID19700797
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(C(=O)c2cccnc2C(=O)O)c1
InChIInChI=1S/C15H11NO5/c1-21-15(20)10-5-2-4-9(8-10)13(17)11-6-3-7-16-12(11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyGOJNDWPBAMAOQE-UHFFFAOYSA-N
XLogP1.80
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
CID 66966592
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
CID 70265363
CID 70265363
CID 159558349
CID 159558349
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid (CID 19700797) is 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid is COC(=O)c1cccc(C(=O)c2cccnc2C(=O)O)c1.
What is the InChIKey of 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid?
The InChIKey is GOJNDWPBAMAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-21-15(20)10-5-2-4-9(8-10)13(17)11-6-3-7-16-12(11)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid?
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 19700797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).