3-methyl-2-pyridin-3-ylbenzoic acid

C13H11NO2 — CID 46317094

IUPAC3-methyl-2-pyridin-3-ylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1cccnc1
InChIInChI=1S/C13H11NO2/c1-9-4-2-6-11(13(15)16)12(9)10-5-3-7-14-8-10/h2-8H,1H3,(H,15,16)
InChIKeyPIVPNKJKUORKTR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 3-methyl-2-pyridin-3-ylbenzoic acid

3-methyl-2-pyridin-3-ylbenzoic acid (PubChem CID 46317094) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-2-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name3-methyl-2-pyridin-3-ylbenzoic acid
PubChem CID46317094
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-methyl-2-pyridin-3-ylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1cccnc1
InChIInChI=1S/C13H11NO2/c1-9-4-2-6-11(13(15)16)12(9)10-5-3-7-14-8-10/h2-8H,1H3,(H,15,16)
InChIKeyPIVPNKJKUORKTR-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

4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
CID 151934643
3-methyl-2-pyridin-3-ylaniline
CID 22482419
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
CID 83597575
3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
CID 90411827
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897
2-phenyl-3-pyridin-3-ylsulfanylbenzoic acid
CID 23436356
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353
3-(2-methylphenyl)pyridine
CID 4133191
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-3-ylbenzoic acid?
The IUPAC name of 3-methyl-2-pyridin-3-ylbenzoic acid (CID 46317094) is 3-methyl-2-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 3-methyl-2-pyridin-3-ylbenzoic acid?
The canonical SMILES for 3-methyl-2-pyridin-3-ylbenzoic acid is Cc1cccc(C(=O)O)c1-c1cccnc1.
What is the InChIKey of 3-methyl-2-pyridin-3-ylbenzoic acid?
The InChIKey is PIVPNKJKUORKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-4-2-6-11(13(15)16)12(9)10-5-3-7-14-8-10/h2-8H,1H3,(H,15,16).
What are the key properties of 3-methyl-2-pyridin-3-ylbenzoic acid?
3-methyl-2-pyridin-3-ylbenzoic 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-methyl-2-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 46317094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).