3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C8H8BrN3 — CID 116984426

IUPAC3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(Br)n2c1CCCC2
InChIInChI=1S/C8H8BrN3/c9-8-11-6(5-10)7-3-1-2-4-12(7)8/h1-4H2
InChIKeySFAZDHPLYHAWON-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.85
Rot. Bonds

About 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984426) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984426
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(Br)n2c1CCCC2
InChIInChI=1S/C8H8BrN3/c9-8-11-6(5-10)7-3-1-2-4-12(7)8/h1-4H2
InChIKeySFAZDHPLYHAWON-UHFFFAOYSA-N
XLogP1.85
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-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-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
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
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984314
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 84609635

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984426) is 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(Br)n2c1CCCC2.
What is the InChIKey of 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is SFAZDHPLYHAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c9-8-11-6(5-10)7-3-1-2-4-12(7)8/h1-4H2.
What are the key properties of 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 226.08 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).