(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone

C12H5BrClF2NO — CID 106761878

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)c1ncccc1F
InChIInChI=1S/C12H5BrClF2NO/c13-7-4-3-6(10(16)9(7)14)12(18)11-8(15)2-1-5-17-11/h1-5H
InChIKeyZHNPHGRZCQGAJU-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.01
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone (PubChem CID 106761878) has the molecular formula C12H5BrClF2NO and a molecular weight of 332.53 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
PubChem CID106761878
Molecular FormulaC12H5BrClF2NO
Molecular Weight332.53 g/mol
Exact Mass330.92
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)c1ncccc1F
InChIInChI=1S/C12H5BrClF2NO/c13-7-4-3-6(10(16)9(7)14)12(18)11-8(15)2-1-5-17-11/h1-5H
InChIKeyZHNPHGRZCQGAJU-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 106761864
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 106761879
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4-bromo-3-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106764329
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
CID 23355545

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone (CID 106761878) is (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone is O=C(c1ccc(Br)c(Cl)c1F)c1ncccc1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is ZHNPHGRZCQGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF2NO/c13-7-4-3-6(10(16)9(7)14)12(18)11-8(15)2-1-5-17-11/h1-5H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 332.53 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 106761878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).