(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone

C13H9BrClNO2 — CID 114054374

IUPAC(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClNO2/c1-18-11-3-2-6-16-12(11)13(17)9-7-8(14)4-5-10(9)15/h2-7H,1H3
InChIKeyQKANYKGWSUCLRT-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.74
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone

(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone (PubChem CID 114054374) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
PubChem CID114054374
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClNO2/c1-18-11-3-2-6-16-12(11)13(17)9-7-8(14)4-5-10(9)15/h2-7H,1H3
InChIKeyQKANYKGWSUCLRT-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 139764301
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
sodium 3-methoxypyridine-2-carboxylate
CID 66803094

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone (CID 114054374) is (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone is COc1cccnc1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is QKANYKGWSUCLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c1-18-11-3-2-6-16-12(11)13(17)9-7-8(14)4-5-10(9)15/h2-7H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone?
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 326.58 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 114054374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).