2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid

C11H9FN4O2 — CID 67262007

IUPAC2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESCNc1nc(F)nc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C11H9FN4O2/c1-13-9-7(10(17)18)8(15-11(12)16-9)6-4-2-3-5-14-6/h2-5H,1H3,(H,17,18)(H,13,15,16)
InChIKeyTZAHYYRTSHQZBM-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.42
Rot. Bonds3

About 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid

2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid (PubChem CID 67262007) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
PubChem CID67262007
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
SMILESCNc1nc(F)nc(-c2ccccn2)c1C(=O)O
InChIInChI=1S/C11H9FN4O2/c1-13-9-7(10(17)18)8(15-11(12)16-9)6-4-2-3-5-14-6/h2-5H,1H3,(H,17,18)(H,13,15,16)
InChIKeyTZAHYYRTSHQZBM-UHFFFAOYSA-N
XLogP1.42
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
CID 18790859
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454720
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
CID 118992178
2-phenylpyridine;propan-2-one
CID 174845023

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid (CID 67262007) is 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid is CNc1nc(F)nc(-c2ccccn2)c1C(=O)O.
What is the InChIKey of 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is TZAHYYRTSHQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c1-13-9-7(10(17)18)8(15-11(12)16-9)6-4-2-3-5-14-6/h2-5H,1H3,(H,17,18)(H,13,15,16).
What are the key properties of 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid?
2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 248.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 67262007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).