7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

C16H12ClN3 — CID 82343141

IUPAC7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc3cc(Cl)ccn3c2C#N)cc1
InChIInChI=1S/C16H12ClN3/c1-2-11-3-5-12(6-4-11)16-14(10-18)20-8-7-13(17)9-15(20)19-16/h3-9H,2H2,1H3
InChIKeyQVRIOHGFCZYPHO-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.09
Rot. Bonds2

About 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82343141) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82343141
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc3cc(Cl)ccn3c2C#N)cc1
InChIInChI=1S/C16H12ClN3/c1-2-11-3-5-12(6-4-11)16-14(10-18)20-8-7-13(17)9-15(20)19-16/h3-9H,2H2,1H3
InChIKeyQVRIOHGFCZYPHO-UHFFFAOYSA-N
XLogP4.09
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343144
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82529903
2,7-dichloroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82343163
7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343148
2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 63619163
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine
CID 20956376
(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
CID 162411635
3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060780
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813
1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 75537301

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 82343141) is 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is CCc1ccc(-c2nc3cc(Cl)ccn3c2C#N)cc1.
What is the InChIKey of 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is QVRIOHGFCZYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-2-11-3-5-12(6-4-11)16-14(10-18)20-8-7-13(17)9-15(20)19-16/h3-9H,2H2,1H3.
What are the key properties of 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 281.75 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).