4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid

C14H13NO4 — CID 53229470

IUPAC4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2ccncc2C(=O)O)c1
InChIInChI=1S/C14H13NO4/c1-18-10-5-9(6-11(7-10)19-2)12-3-4-15-8-13(12)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyPPYJISIKKSSMMC-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid

4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53229470) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53229470
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(-c2ccncc2C(=O)O)c1
InChIInChI=1S/C14H13NO4/c1-18-10-5-9(6-11(7-10)19-2)12-3-4-15-8-13(12)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyPPYJISIKKSSMMC-UHFFFAOYSA-N
XLogP2.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[5-(3-carboxy-4-pyridinyl)-7-methoxy-4-oxochromen-3-yl]phenyl]pyridine-3-carboxylic acid
CID 25099292
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
CID 11604587
4-(5-methoxythiophen-2-yl)pyridine-3-carboxylic acid
CID 96595835
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53229197
4-(3-methoxy-6-methyl-2-pyridinyl)pyridine-3-carboxylic acid
CID 175489276

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid (CID 53229470) is 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid is COc1cc(OC)cc(-c2ccncc2C(=O)O)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is PPYJISIKKSSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-10-5-9(6-11(7-10)19-2)12-3-4-15-8-13(12)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid?
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53229470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).