3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C10H12ClN3 — CID 116984333

IUPAC3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CCCl)n2c1CCCC2
InChIInChI=1S/C10H12ClN3/c11-5-4-10-13-8(7-12)9-3-1-2-6-14(9)10/h1-6H2
InChIKeyBYMXQXDWFHUKCO-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.87
Rot. Bonds2

About 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984333) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984333
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CCCl)n2c1CCCC2
InChIInChI=1S/C10H12ClN3/c11-5-4-10-13-8(7-12)9-3-1-2-6-14(9)10/h1-6H2
InChIKeyBYMXQXDWFHUKCO-UHFFFAOYSA-N
XLogP1.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile 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

3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
CID 116836798
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116836729
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397
3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984314
[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984469
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984333) is 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(CCCl)n2c1CCCC2.
What is the InChIKey of 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is BYMXQXDWFHUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-5-4-10-13-8(7-12)9-3-1-2-6-14(9)10/h1-6H2.
What are the key properties of 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 209.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).