(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone

C12H7BrClNO — CID 118802407

IUPAC(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1c(Cl)cccc1Br
InChIInChI=1S/C12H7BrClNO/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H
InChIKeyFRMBQVCVBDXZLZ-UHFFFAOYSA-N
MW296.55 g/mol
LogP3.73
Rot. Bonds2

About (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone

(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone (PubChem CID 118802407) has the molecular formula C12H7BrClNO and a molecular weight of 296.55 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
PubChem CID118802407
Molecular FormulaC12H7BrClNO
Molecular Weight296.55 g/mol
Exact Mass294.94
IUPAC Name(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1c(Cl)cccc1Br
InChIInChI=1S/C12H7BrClNO/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H
InChIKeyFRMBQVCVBDXZLZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118847428
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118808095
CID 173156131
CID 173156131
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium
CID 18515171

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone (CID 118802407) is (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1c(Cl)cccc1Br.
What is the InChIKey of (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone?
The InChIKey is FRMBQVCVBDXZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO/c13-8-4-3-5-9(14)11(8)12(16)10-6-1-2-7-15-10/h1-7H.
What are the key properties of (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone?
(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone has a molecular weight of 296.55 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 118802407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).