5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine

C14H11ClN2 — CID 117142163

IUPAC5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ncc3cccc(Cl)n23)c1
InChIInChI=1S/C14H11ClN2/c1-10-4-2-5-11(8-10)14-16-9-12-6-3-7-13(15)17(12)14/h2-9H,1H3
InChIKeyXKNXNUGKAFMXPT-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.96
Rot. Bonds1

About 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine

5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine (PubChem CID 117142163) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine
PubChem CID117142163
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ncc3cccc(Cl)n23)c1
InChIInChI=1S/C14H11ClN2/c1-10-4-2-5-11(8-10)14-16-9-12-6-3-7-13(15)17(12)14/h2-9H,1H3
InChIKeyXKNXNUGKAFMXPT-UHFFFAOYSA-N
XLogP3.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117142200
5-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117142201
5-methyl-3-(3-methylphenyl)imidazo[1,5-a]pyridine
CID 117142160
3-(3-fluorophenyl)-5-methylimidazo[1,5-a]pyridine
CID 117142169
5-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine
CID 117142181
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141165
3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 122379882
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 84737927
2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 105450329
N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
CID 19082365
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine (CID 117142163) is 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine is Cc1cccc(-c2ncc3cccc(Cl)n23)c1.
What is the InChIKey of 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine?
The InChIKey is XKNXNUGKAFMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-4-2-5-11(8-10)14-16-9-12-6-3-7-13(15)17(12)14/h2-9H,1H3.
What are the key properties of 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine?
5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117142163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).