2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone

C16H12ClFIN2O- — CID 163800953

IUPAC2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
SMILESC[I-]C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12ClFIN2O/c1-19-14(22)8-13-16(10-2-5-12(18)6-3-10)20-15-7-4-11(17)9-21(13)15/h2-7,9H,8H2,1H3/q-1
InChIKeyVZQHQIQFHGXDAI-UHFFFAOYSA-N
MW429.64 g/mol
LogP0.58
Rot. Bonds4

About 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone

2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone (PubChem CID 163800953) has the molecular formula C16H12ClFIN2O- and a molecular weight of 429.64 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone.

Molecular Properties

Compound Name2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
PubChem CID163800953
Molecular FormulaC16H12ClFIN2O-
Molecular Weight429.64 g/mol
Exact Mass428.97
IUPAC Name2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
SMILESC[I-]C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H12ClFIN2O/c1-19-14(22)8-13-16(10-2-5-12(18)6-3-10)20-15-7-4-11(17)9-21(13)15/h2-7,9H,8H2,1H3/q-1
InChIKeyVZQHQIQFHGXDAI-UHFFFAOYSA-N
XLogP0.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.64
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
2-[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
CID 24945186
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601
2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060605
2-[2-(3,4-difluorophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 134152043
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 156575795

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone?
The IUPAC name of 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone (CID 163800953) is 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone.
What is the SMILES notation for 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone?
The canonical SMILES for 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone is C[I-]C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone?
The InChIKey is VZQHQIQFHGXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFIN2O/c1-19-14(22)8-13-16(10-2-5-12(18)6-3-10)20-15-7-4-11(17)9-21(13)15/h2-7,9H,8H2,1H3/q-1.
What are the key properties of 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone?
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone has a molecular weight of 429.64 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone is sourced from PubChem (CID 163800953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).