5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid

C12H10N2O2 — CID 83917075

IUPAC5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
SMILESCc1cnc(-c2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O2/c1-8-5-10(12(15)16)11(14-6-8)9-3-2-4-13-7-9/h2-7H,1H3,(H,15,16)
InChIKeyQHSDSCANCBULJW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid

5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid (PubChem CID 83917075) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
PubChem CID83917075
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
SMILESCc1cnc(-c2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O2/c1-8-5-10(12(15)16)11(14-6-8)9-3-2-4-13-7-9/h2-7H,1H3,(H,15,16)
InChIKeyQHSDSCANCBULJW-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
CID 83597575
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53213011
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
CID 131869928

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid (CID 83917075) is 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid is Cc1cnc(-c2cccnc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid?
The InChIKey is QHSDSCANCBULJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-5-10(12(15)16)11(14-6-8)9-3-2-4-13-7-9/h2-7H,1H3,(H,15,16).
What are the key properties of 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid?
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 83917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).