4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid

C11H9N3O2 — CID 82471218

IUPAC4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C11H9N3O2/c1-7-9(11(15)16)10(14-6-13-7)8-4-2-3-5-12-8/h2-6H,1H3,(H,15,16)
InChIKeyLJTRSRZCNANRCI-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid

4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid (PubChem CID 82471218) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
PubChem CID82471218
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ncnc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C11H9N3O2/c1-7-9(11(15)16)10(14-6-13-7)8-4-2-3-5-12-8/h2-6H,1H3,(H,15,16)
InChIKeyLJTRSRZCNANRCI-UHFFFAOYSA-N
XLogP1.55
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
CID 175593877
2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 67262007
5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
CID 18790859
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
(4-methoxy-2-pyridin-2-yl-3-pyridinyl)-phenylmethanone
CID 70109983
6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454720
methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid (CID 82471218) is 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid is Cc1ncnc(-c2ccccn2)c1C(=O)O.
What is the InChIKey of 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is LJTRSRZCNANRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-9(11(15)16)10(14-6-13-7)8-4-2-3-5-12-8/h2-6H,1H3,(H,15,16).
What are the key properties of 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82471218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).