2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride

C8H8Cl2N2 — CID 164900290

IUPAC2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.[2H]C([2H])(Cl)c1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H/i5D2;
InChIKeyXAYHUBRYLJFUIX-QPMNBSDMSA-N
MW205.08 g/mol
LogP2.49
Rot. Bonds1

About 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride

2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 164900290) has the molecular formula C8H8Cl2N2 and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride
PubChem CID164900290
Molecular FormulaC8H8Cl2N2
Molecular Weight205.08 g/mol
Exact Mass204.02
IUPAC Name2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCl.[2H]C([2H])(Cl)c1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H/i5D2;
InChIKeyXAYHUBRYLJFUIX-QPMNBSDMSA-N
XLogP2.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride 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

imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
2-chloro-N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 63387084
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-imidazo[1,2-a]pyridin-2-ylethyl(diphenyl)phosphane
CID 118457397

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride (CID 164900290) is 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride is Cl.[2H]C([2H])(Cl)c1cn2ccccc2n1.
What is the InChIKey of 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is XAYHUBRYLJFUIX-QPMNBSDMSA-N. The full InChI is InChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H/i5D2;.
What are the key properties of 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride?
2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 205.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 164900290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).