(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone

C13H9BrFNO — CID 106644923

IUPAC(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c1-8-7-16-6-5-9(8)13(17)10-3-2-4-11(14)12(10)15/h2-7H,1H3
InChIKeyNPEMYWMMUQELCG-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.52
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone

(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone (PubChem CID 106644923) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
PubChem CID106644923
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c1-8-7-16-6-5-9(8)13(17)10-3-2-4-11(14)12(10)15/h2-7H,1H3
InChIKeyNPEMYWMMUQELCG-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

(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone (CID 106644923) is (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone is Cc1cnccc1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone?
The InChIKey is NPEMYWMMUQELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c1-8-7-16-6-5-9(8)13(17)10-3-2-4-11(14)12(10)15/h2-7H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone?
(3-bromo-2-fluorophenyl)-(3-methyl-4-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 (3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106644923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).