3-(1H-imidazol-5-yl)pyridine;hydrochloride

C8H8ClN3 — CID 67500499

IUPAC3-(1H-imidazol-5-yl)pyridine;hydrochloride
SMILESCl.c1cncc(-c2cnc[nH]2)c1
InChIInChI=1S/C8H7N3.ClH/c1-2-7(4-9-3-1)8-5-10-6-11-8;/h1-6H,(H,10,11);1H
InChIKeyIIMSLEINMUTPJU-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.89
Rot. Bonds1

About 3-(1H-imidazol-5-yl)pyridine;hydrochloride

3-(1H-imidazol-5-yl)pyridine;hydrochloride (PubChem CID 67500499) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)pyridine;hydrochloride
PubChem CID67500499
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name3-(1H-imidazol-5-yl)pyridine;hydrochloride
SMILESCl.c1cncc(-c2cnc[nH]2)c1
InChIInChI=1S/C8H7N3.ClH/c1-2-7(4-9-3-1)8-5-10-6-11-8;/h1-6H,(H,10,11);1H
InChIKeyIIMSLEINMUTPJU-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1H-imidazol-5-yl)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

5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
CID 47002499
3-[1-(3-bromopropyl)imidazol-4-yl]pyridine;1,3-dibromopropane;3-(1H-imidazol-5-yl)pyridine
CID 158732907
5-(1H-imidazol-5-yl)-2-methylpyridine
CID 11586339
cyclopenta[c]azepine
CID 638010
5-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1H-imidazole
CID 173195161
3-azulen-6-ylpyridine
CID 86232079
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
ethane;2-(1H-imidazol-5-yl)pyridine
CID 144804371
2-(1H-imidazol-5-yl)pyrazine;dihydrochloride
CID 91798971
5-phenyl-1H-imidazole;trifluoromethanesulfonic acid
CID 23116833
4-(1H-imidazol-5-yl)-2-phenylpyrimidine
CID 90707377
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)pyridine;hydrochloride?
The IUPAC name of 3-(1H-imidazol-5-yl)pyridine;hydrochloride (CID 67500499) is 3-(1H-imidazol-5-yl)pyridine;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-5-yl)pyridine;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-5-yl)pyridine;hydrochloride is Cl.c1cncc(-c2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)pyridine;hydrochloride?
The InChIKey is IIMSLEINMUTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.ClH/c1-2-7(4-9-3-1)8-5-10-6-11-8;/h1-6H,(H,10,11);1H.
What are the key properties of 3-(1H-imidazol-5-yl)pyridine;hydrochloride?
3-(1H-imidazol-5-yl)pyridine;hydrochloride has a molecular weight of 181.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)pyridine;hydrochloride is sourced from PubChem (CID 67500499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).