2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid

C14H10BrFN2O2 — CID 107923916

IUPAC2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(F)ccc2Br)nc1C1CC1
InChIInChI=1S/C14H10BrFN2O2/c15-11-4-3-8(16)5-9(11)13-17-6-10(14(19)20)12(18-13)7-1-2-7/h3-7H,1-2H2,(H,19,20)
InChIKeyUUAPFFMRNNJGCO-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid

2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid (PubChem CID 107923916) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
PubChem CID107923916
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(F)ccc2Br)nc1C1CC1
InChIInChI=1S/C14H10BrFN2O2/c15-11-4-3-8(16)5-9(11)13-17-6-10(14(19)20)12(18-13)7-1-2-7/h3-7H,1-2H2,(H,19,20)
InChIKeyUUAPFFMRNNJGCO-UHFFFAOYSA-N
XLogP3.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-(2-bromo-5-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 107923913
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
4-cyclopropyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
CID 63987516
2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 107923917
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107923921
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
2-(2-bromo-5-fluorophenyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107923929
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
CID 107281472
2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62388782

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid (CID 107923916) is 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cc(F)ccc2Br)nc1C1CC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
The InChIKey is UUAPFFMRNNJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-4-3-8(16)5-9(11)13-17-6-10(14(19)20)12(18-13)7-1-2-7/h3-7H,1-2H2,(H,19,20).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid?
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid has a molecular weight of 337.15 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107923916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).