(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone

C13H9BrFNO — CID 79742364

IUPAC(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H9BrFNO/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,1H3
InChIKeySCBSQNAJPCHIEO-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.52
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone

(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 79742364) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
PubChem CID79742364
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H9BrFNO/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,1H3
InChIKeySCBSQNAJPCHIEO-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
CID 125388533
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105116420
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669438

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone (CID 79742364) is (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)c2cc(Br)ccc2F)n1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is SCBSQNAJPCHIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone?
(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 294.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 79742364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).