5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid

C12H7BrClNO2 — CID 117222130

IUPAC5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)cnc1Cl
InChIInChI=1S/C12H7BrClNO2/c13-9-3-1-7(2-4-9)8-5-10(12(16)17)11(14)15-6-8/h1-6H,(H,16,17)
InChIKeyTWHFNNFDPIYIPT-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.86
Rot. Bonds2

About 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid

5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid (PubChem CID 117222130) has the molecular formula C12H7BrClNO2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
PubChem CID117222130
Molecular FormulaC12H7BrClNO2
Molecular Weight312.55 g/mol
Exact Mass310.93
IUPAC Name5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)cnc1Cl
InChIInChI=1S/C12H7BrClNO2/c13-9-3-1-7(2-4-9)8-5-10(12(16)17)11(14)15-6-8/h1-6H,(H,16,17)
InChIKeyTWHFNNFDPIYIPT-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222558
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
CID 167685517
2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224514
2-chloro-5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyridine-3-carboxylic acid
CID 11846213

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid (CID 117222130) is 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)cnc1Cl.
What is the InChIKey of 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid?
The InChIKey is TWHFNNFDPIYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO2/c13-9-3-1-7(2-4-9)8-5-10(12(16)17)11(14)15-6-8/h1-6H,(H,16,17).
What are the key properties of 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid?
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid has a molecular weight of 312.55 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 117222130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).