1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine

C9H9ClN2 — CID 112552822

IUPAC1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
SMILESCc1nc(CCl)c2ccccn12
InChIInChI=1S/C9H9ClN2/c1-7-11-8(6-10)9-4-2-3-5-12(7)9/h2-5H,6H2,1H3
InChIKeyXVCBOJYCJCVMAO-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.38
Rot. Bonds1

About 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine

1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine (PubChem CID 112552822) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
PubChem CID112552822
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
SMILESCc1nc(CCl)c2ccccn12
InChIInChI=1S/C9H9ClN2/c1-7-11-8(6-10)9-4-2-3-5-12(7)9/h2-5H,6H2,1H3
InChIKeyXVCBOJYCJCVMAO-UHFFFAOYSA-N
XLogP2.38
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine 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-methyl-1-propylimidazo[1,5-a]pyridine
CID 145078679
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
1-(4-methoxybutyl)-3-methylimidazo[1,5-a]pyridine
CID 143109237
1-(chloromethyl)-5-methoxy-3-methylimidazo[1,5-a]pyridine
CID 112552824
3-methyl-N-propan-2-ylimidazo[1,5-a]pyridin-1-amine
CID 153487569
1-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine;dihydrochloride
CID 154905678
N-[(2-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648110
3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine
CID 117247095
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-2-oxoacetic acid
CID 82282708
N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-1-quinolin-8-ylmethanesulfonamide
CID 75391639
1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea
CID 71908261
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine?
The IUPAC name of 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine (CID 112552822) is 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine is Cc1nc(CCl)c2ccccn12.
What is the InChIKey of 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine?
The InChIKey is XVCBOJYCJCVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-7-11-8(6-10)9-4-2-3-5-12(7)9/h2-5H,6H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine?
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 112552822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).