(3-bromo-4-pyridinyl)-phenylmethanone

C12H8BrNO — CID 102419732

IUPAC(3-bromo-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccncc1Br
InChIInChI=1S/C12H8BrNO/c13-11-8-14-7-6-10(11)12(15)9-4-2-1-3-5-9/h1-8H
InChIKeyXFWQFKYZDARRPL-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.08
Rot. Bonds2

About (3-bromo-4-pyridinyl)-phenylmethanone

(3-bromo-4-pyridinyl)-phenylmethanone (PubChem CID 102419732) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is (3-bromo-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-4-pyridinyl)-phenylmethanone
PubChem CID102419732
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name(3-bromo-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccncc1Br
InChIInChI=1S/C12H8BrNO/c13-11-8-14-7-6-10(11)12(15)9-4-2-1-3-5-9/h1-8H
InChIKeyXFWQFKYZDARRPL-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-pyridinyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-N-phenylpyridine-4-carboxamide
CID 14761571
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
CID 159414201
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide
CID 132933318
3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
CID 18316610
1-(3-bromo-4-pyridinyl)-2-methylprop-2-en-1-one
CID 131048944
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(4-bromo-2-chloro-3-pyridinyl)-phenylmethanone
CID 102368897
sodium 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboximidate
CID 132933317
2-[(3-bromo-4-pyridinyl)sulfanyl]benzoic acid
CID 104776612

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-pyridinyl)-phenylmethanone?
The IUPAC name of (3-bromo-4-pyridinyl)-phenylmethanone (CID 102419732) is (3-bromo-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-4-pyridinyl)-phenylmethanone?
The canonical SMILES for (3-bromo-4-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1ccncc1Br.
What is the InChIKey of (3-bromo-4-pyridinyl)-phenylmethanone?
The InChIKey is XFWQFKYZDARRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-11-8-14-7-6-10(11)12(15)9-4-2-1-3-5-9/h1-8H.
What are the key properties of (3-bromo-4-pyridinyl)-phenylmethanone?
(3-bromo-4-pyridinyl)-phenylmethanone has a molecular weight of 262.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 102419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).