1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one

C17H12BrClF2N2O — CID 177064263

IUPAC1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
SMILESCc1ccn2c(CC(=O)CCl)c(-c3c(F)cc(Br)cc3F)nc2c1
InChIInChI=1S/C17H12BrClF2N2O/c1-9-2-3-23-14(7-11(24)8-19)17(22-15(23)4-9)16-12(20)5-10(18)6-13(16)21/h2-6H,7-8H2,1H3
InChIKeyAUPRAJGRYYWGFL-UHFFFAOYSA-N
MW413.65 g/mol
LogP4.70
Rot. Bonds4

About 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one

1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one (PubChem CID 177064263) has the molecular formula C17H12BrClF2N2O and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
PubChem CID177064263
Molecular FormulaC17H12BrClF2N2O
Molecular Weight413.65 g/mol
Exact Mass411.98
IUPAC Name1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
SMILESCc1ccn2c(CC(=O)CCl)c(-c3c(F)cc(Br)cc3F)nc2c1
InChIInChI=1S/C17H12BrClF2N2O/c1-9-2-3-23-14(7-11(24)8-19)17(22-15(23)4-9)16-12(20)5-10(18)6-13(16)21/h2-6H,7-8H2,1H3
InChIKeyAUPRAJGRYYWGFL-UHFFFAOYSA-N
XLogP4.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The IUPAC name of 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one (CID 177064263) is 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one.
What is the SMILES notation for 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The canonical SMILES for 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one is Cc1ccn2c(CC(=O)CCl)c(-c3c(F)cc(Br)cc3F)nc2c1.
What is the InChIKey of 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The InChIKey is AUPRAJGRYYWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF2N2O/c1-9-2-3-23-14(7-11(24)8-19)17(22-15(23)4-9)16-12(20)5-10(18)6-13(16)21/h2-6H,7-8H2,1H3.
What are the key properties of 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one has a molecular weight of 413.65 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one is sourced from PubChem (CID 177064263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).