2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid

C16H10FN3O2 — CID 90488048

IUPAC2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C16H10FN3O2/c17-12-3-1-11(2-4-12)15-19-9-13(16(21)22)14(20-15)10-5-7-18-8-6-10/h1-9H,(H,21,22)
InChIKeyUFKQGKBYTORYCP-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid

2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 90488048) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID90488048
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C16H10FN3O2/c17-12-3-1-11(2-4-12)15-19-9-13(16(21)22)14(20-15)10-5-7-18-8-6-10/h1-9H,(H,21,22)
InChIKeyUFKQGKBYTORYCP-UHFFFAOYSA-N
XLogP3.04
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
CID 55970
Anthranilic acid, N-(6-(2-aminopyrimidinyl))-
CID 35750
2-Methyl-1,8-naphthyridine-3-carboxylic acid
CID 2736908
2-{[2-(Cyclohexylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647248
2-({2-[(2-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647254
2-({2-[(3-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647255
2-({2-[(4-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647256
2-({2-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647257
2-({2-[(3-Fluoro-4-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647258
2-[(2-{[3-(Trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzoic acid
CID 23647260
2-[(2-{[4-(Trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzoic acid
CID 23647261
2-{[5-Fluoro-2-(phenylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647269

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 90488048) is 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is UFKQGKBYTORYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-12-3-1-11(2-4-12)15-19-9-13(16(21)22)14(20-15)10-5-7-18-8-6-10/h1-9H,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 90488048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).