6-(3-bromophenyl)pyridine-2-carboxylic acid

C12H8BrNO2 — CID 82378732

IUPAC6-(3-bromophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H8BrNO2/c13-9-4-1-3-8(7-9)10-5-2-6-11(14-10)12(15)16/h1-7H,(H,15,16)
InChIKeyIZQZLNPDOWFZGL-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.21
Rot. Bonds2

About 6-(3-bromophenyl)pyridine-2-carboxylic acid

6-(3-bromophenyl)pyridine-2-carboxylic acid (PubChem CID 82378732) has the molecular formula C12H8BrNO2 and a molecular weight of 278.11 g/mol. Its IUPAC name is 6-(3-bromophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromophenyl)pyridine-2-carboxylic acid
PubChem CID82378732
Molecular FormulaC12H8BrNO2
Molecular Weight278.11 g/mol
Exact Mass276.97
IUPAC Name6-(3-bromophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H8BrNO2/c13-9-4-1-3-8(7-9)10-5-2-6-11(14-10)12(15)16/h1-7H,(H,15,16)
InChIKeyIZQZLNPDOWFZGL-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-bromophenyl)pyridine-2-carboxylic acid (CID 82378732) is 6-(3-bromophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-bromophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-bromophenyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)pyridine-2-carboxylic acid?
The InChIKey is IZQZLNPDOWFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO2/c13-9-4-1-3-8(7-9)10-5-2-6-11(14-10)12(15)16/h1-7H,(H,15,16).
What are the key properties of 6-(3-bromophenyl)pyridine-2-carboxylic acid?
6-(3-bromophenyl)pyridine-2-carboxylic acid has a molecular weight of 278.11 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82378732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).