5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine

C12H9ClN2S — CID 117142407

IUPAC5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(Cc3cccs3)n12
InChIInChI=1S/C12H9ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1-6,8H,7H2
InChIKeyNAWWAUXLLVWICC-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine

5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117142407) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117142407
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(Cc3cccs3)n12
InChIInChI=1S/C12H9ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1-6,8H,7H2
InChIKeyNAWWAUXLLVWICC-UHFFFAOYSA-N
XLogP3.64
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141200
3-benzyl-5-chloroimidazo[1,5-a]pyridine
CID 117141926
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
5-chloro-3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117141951
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
6-methyl-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117149200
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 71061784
5-chloro-6-(thiophen-2-ylmethyl)-1H-pyrimidin-2-one
CID 70527841

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine (CID 117142407) is 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine is Clc1cccc2cnc(Cc3cccs3)n12.
What is the InChIKey of 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is NAWWAUXLLVWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1-6,8H,7H2.
What are the key properties of 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine?
5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 248.74 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117142407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).