3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde

C12H7ClN2OS — CID 117141103

IUPAC3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(-c3ccc(Cl)s3)n12
InChIInChI=1S/C12H7ClN2OS/c13-11-5-4-10(17-11)12-14-6-8-2-1-3-9(7-16)15(8)12/h1-7H
InChIKeyTTYCNRWCRJPVEP-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.53
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde

3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117141103) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117141103
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(-c3ccc(Cl)s3)n12
InChIInChI=1S/C12H7ClN2OS/c13-11-5-4-10(17-11)12-14-6-8-2-1-3-9(7-16)15(8)12/h1-7H
InChIKeyTTYCNRWCRJPVEP-UHFFFAOYSA-N
XLogP3.53
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141839
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141165
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141138
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141200
3-(5-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141112
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
CID 117259368
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
CID 115005771
3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141043
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141123
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117140967
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82130310

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117141103) is 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2cnc(-c3ccc(Cl)s3)n12.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is TTYCNRWCRJPVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-11-5-4-10(17-11)12-14-6-8-2-1-3-9(7-16)15(8)12/h1-7H.
What are the key properties of 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 262.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).