5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid

C12H7BrFNO2 — CID 79743488

IUPAC5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C12H7BrFNO2/c13-9-1-2-11(14)10(4-9)7-3-8(12(16)17)6-15-5-7/h1-6H,(H,16,17)
InChIKeyNLPFQEBQLUJKCG-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.35
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid

5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 79743488) has the molecular formula C12H7BrFNO2 and a molecular weight of 296.10 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID79743488
Molecular FormulaC12H7BrFNO2
Molecular Weight296.10 g/mol
Exact Mass294.96
IUPAC Name5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C12H7BrFNO2/c13-9-1-2-11(14)10(4-9)7-3-8(12(16)17)6-15-5-7/h1-6H,(H,16,17)
InChIKeyNLPFQEBQLUJKCG-UHFFFAOYSA-N
XLogP3.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 71303513
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid
CID 53445769
5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
2-(5-bromo-2-fluorophenyl)-6-chloropyrazine
CID 79743065

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid (CID 79743488) is 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cc(Br)ccc2F)c1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is NLPFQEBQLUJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO2/c13-9-1-2-11(14)10(4-9)7-3-8(12(16)17)6-15-5-7/h1-6H,(H,16,17).
What are the key properties of 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid?
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 296.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).