3-(4-methylphenyl)pyridine-4-carboxylic acid

C13H11NO2 — CID 19865918

IUPAC3-(4-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cnccc2C(=O)O)cc1
InChIInChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-8-14-7-6-11(12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLCCKZIOLASIUIM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-methylphenyl)pyridine-4-carboxylic acid

3-(4-methylphenyl)pyridine-4-carboxylic acid (PubChem CID 19865918) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(4-methylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)pyridine-4-carboxylic acid
PubChem CID19865918
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(4-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cnccc2C(=O)O)cc1
InChIInChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-8-14-7-6-11(12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLCCKZIOLASIUIM-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3442
Isonicotinic Acid
CID 5922
4-Quinolinecarboxylic acid
CID 10243
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Isoquinoline-5-carboxylic acid
CID 260936
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)pyridine-4-carboxylic acid (CID 19865918) is 3-(4-methylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)pyridine-4-carboxylic acid is Cc1ccc(-c2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-(4-methylphenyl)pyridine-4-carboxylic acid?
The InChIKey is LCCKZIOLASIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-8-14-7-6-11(12)13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 3-(4-methylphenyl)pyridine-4-carboxylic acid?
3-(4-methylphenyl)pyridine-4-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 19865918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).