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

C9H9ClN2S — CID 117247095

IUPAC3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine
SMILESCSCc1nc(Cl)n2ccccc12
InChIInChI=1S/C9H9ClN2S/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3
InChIKeyIMKWTAGBRRZIDO-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.85
Rot. Bonds2

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

3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117247095) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine
PubChem CID117247095
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine
SMILESCSCc1nc(Cl)n2ccccc12
InChIInChI=1S/C9H9ClN2S/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3
InChIKeyIMKWTAGBRRZIDO-UHFFFAOYSA-N
XLogP2.85
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
3-chloroimidazo[1,5-a]pyridine-1-sulfonamide
CID 14422545
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
3-methyl-1-propylimidazo[1,5-a]pyridine
CID 145078679
3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine
CID 117247026
(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247100
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
3-chloro-1-[(2-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine
CID 117247067
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
1-chloro-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117250855
1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
CID 28797067
1-(1-chloroimidazo[1,5-a]pyridin-3-yl)ethanone
CID 83879180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine (CID 117247095) is 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine is CSCc1nc(Cl)n2ccccc12.
What is the InChIKey of 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is IMKWTAGBRRZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3.
What are the key properties of 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine?
3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 212.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117247095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).