1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone

C13H8BrClFNO — CID 113398206

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrClFNO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2
InChIKeyPTZAUNSRPIBXFN-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 113398206) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID113398206
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrClFNO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2
InChIKeyPTZAUNSRPIBXFN-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

Analyze 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362986
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 113398206) is 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is PTZAUNSRPIBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)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-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 113398206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).