2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile

C17H14FN3 — CID 82060558

IUPAC2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3ccc(F)cn3c2CC#N)c(C)c1
InChIInChI=1S/C17H14FN3/c1-11-3-5-14(12(2)9-11)17-15(7-8-19)21-10-13(18)4-6-16(21)20-17/h3-6,9-10H,7H2,1-2H3
InChIKeyRFGJRPWECOBDLW-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.82
Rot. Bonds2

About 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82060558) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82060558
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3ccc(F)cn3c2CC#N)c(C)c1
InChIInChI=1S/C17H14FN3/c1-11-3-5-14(12(2)9-11)17-15(7-8-19)21-10-13(18)4-6-16(21)20-17/h3-6,9-10H,7H2,1-2H3
InChIKeyRFGJRPWECOBDLW-UHFFFAOYSA-N
XLogP3.82
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
2-[2-(4-aminophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82530319
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259035
2-[2-(5-chloro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259041
2-(2,4-dimethylphenyl)-N-ethyl-3-methylimidazo[1,2-a]pyridin-6-amine
CID 82059764
3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029821
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82060558) is 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1ccc(-c2nc3ccc(F)cn3c2CC#N)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is RFGJRPWECOBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-11-3-5-14(12(2)9-11)17-15(7-8-19)21-10-13(18)4-6-16(21)20-17/h3-6,9-10H,7H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82060558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).