1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone

C13H8BrClFNO — CID 112655296

IUPAC1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrClFNO/c14-9-1-2-12(16)10(6-9)13(18)5-8-3-4-17-7-11(8)15/h1-4,6-7H,5H2
InChIKeyAZCQEMNWGILXHI-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone

1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 112655296) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID112655296
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrClFNO/c14-9-1-2-12(16)10(6-9)13(18)5-8-3-4-17-7-11(8)15/h1-4,6-7H,5H2
InChIKeyAZCQEMNWGILXHI-UHFFFAOYSA-N
XLogP4.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
CID 106854794
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
5-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-fluorobenzoic acid
CID 113371653

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone (CID 112655296) is 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone is O=C(Cc1ccncc1Cl)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is AZCQEMNWGILXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-9-1-2-12(16)10(6-9)13(18)5-8-3-4-17-7-11(8)15/h1-4,6-7H,5H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 328.57 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 112655296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).