(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol

C9H9ClN2S — CID 117247100

IUPAC(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESCc1ccn2c(Cl)nc(CS)c2c1
InChIInChI=1S/C9H9ClN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h2-4,13H,5H2,1H3
InChIKeyVMQXLEQRKJUSLL-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.73
Rot. Bonds1

About (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol

(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol (PubChem CID 117247100) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol.

Molecular Properties

Compound Name(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol
PubChem CID117247100
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESCc1ccn2c(Cl)nc(CS)c2c1
InChIInChI=1S/C9H9ClN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h2-4,13H,5H2,1H3
InChIKeyVMQXLEQRKJUSLL-UHFFFAOYSA-N
XLogP2.73
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117247047
3-chloro-1-[(2-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine
CID 117247067
1-chloro-3-(4-chlorophenyl)-7-methylimidazo[1,5-a]pyridine
CID 117252034
(7-methyl-3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552812
2-(3,7-dimethylimidazo[1,5-a]pyridin-1-yl)-N-methylethanamine
CID 83832292
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83869559
N-[(3-ethyl-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]ethanamine
CID 112552362
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552051
1-bromo-7-methylimidazo[1,5-a]pyridin-3-amine
CID 83867496
[2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223695

Frequently Asked Questions

What is the IUPAC name of (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol?
The IUPAC name of (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol (CID 117247100) is (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol.
What is the SMILES notation for (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol?
The canonical SMILES for (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol is Cc1ccn2c(Cl)nc(CS)c2c1.
What is the InChIKey of (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol?
The InChIKey is VMQXLEQRKJUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h2-4,13H,5H2,1H3.
What are the key properties of (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol?
(3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol has a molecular weight of 212.71 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-7-methylimidazo[1,5-a]pyridin-1-yl)methanethiol is sourced from PubChem (CID 117247100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).