4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid

C12H9FN2O2 — CID 156842765

IUPAC4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c1-7-6-14-11(12(16)17)15-10(7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,16,17)
InChIKeyPRHXGFOTQYZXFV-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.29
Rot. Bonds2

About 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid

4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid (PubChem CID 156842765) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
PubChem CID156842765
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c1-7-6-14-11(12(16)17)15-10(7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,16,17)
InChIKeyPRHXGFOTQYZXFV-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
5-chloro-4-(3-methylphenyl)pyrimidine-2-carboxylic acid
CID 156842703
2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylic acid
CID 69037879
6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 114872887
5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid
CID 143634129
5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
CID 156842800
4-(2-fluorophenyl)-5-(trideuteriomethyl)pyrimidine-2-carboxylic acid
CID 156842541
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
4-(3-fluorophenyl)-N-[(3S)-8-isocyano-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-methylpyrimidine-2-carboxamide
CID 168751238
5-methylquinazoline-2-carboxylic acid
CID 150199538

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid (CID 156842765) is 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid is Cc1cnc(C(=O)O)nc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid?
The InChIKey is PRHXGFOTQYZXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7-6-14-11(12(16)17)15-10(7)8-3-2-4-9(13)5-8/h2-6H,1H3,(H,16,17).
What are the key properties of 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid?
4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).