3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid

C16H15NO6 — CID 139864316

IUPAC3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)c2cccnc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H15NO6/c1-21-11-7-9(8-12(22-2)15(11)23-3)14(18)10-5-4-6-17-13(10)16(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyHDRXEMHPJJQCLV-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.04
Rot. Bonds6

About 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid

3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid (PubChem CID 139864316) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
PubChem CID139864316
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)c2cccnc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H15NO6/c1-21-11-7-9(8-12(22-2)15(11)23-3)14(18)10-5-4-6-17-13(10)16(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyHDRXEMHPJJQCLV-UHFFFAOYSA-N
XLogP2.04
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744
pyridine-2,3-dicarboxylic acid
CID 1066
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)benzoic acid
CID 66987615
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid (CID 139864316) is 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid is COc1cc(C(=O)c2cccnc2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid?
The InChIKey is HDRXEMHPJJQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-21-11-7-9(8-12(22-2)15(11)23-3)14(18)10-5-4-6-17-13(10)16(19)20/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid?
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 139864316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).