3-chloro-2-methyl-4-methylsulfanylpyridine

C7H8ClNS — CID 167047809

IUPAC3-chloro-2-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(C)c1Cl
InChIInChI=1S/C7H8ClNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3
InChIKeyCGTMRPVDHMEUBC-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.77
Rot. Bonds1

About 3-chloro-2-methyl-4-methylsulfanylpyridine

3-chloro-2-methyl-4-methylsulfanylpyridine (PubChem CID 167047809) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-methylsulfanylpyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-4-methylsulfanylpyridine
PubChem CID167047809
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name3-chloro-2-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(C)c1Cl
InChIInChI=1S/C7H8ClNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3
InChIKeyCGTMRPVDHMEUBC-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-methyl-4-methylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
CID 150221933
3-bromo-2-methyl-4-methylsulfanylpyridine
CID 170993138
3-chloro-2,4-dimethylpyridine
CID 12508368
3-chloro-2-methylpyridin-4-amine
CID 13419573
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
3-chloro-2-methyl-4-nitropyridine
CID 21364039
ethane;4-fluoro-2,3-dimethylpyridine
CID 176718154
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 130588443
2-chloro-6-methyl-3-methylsulfanylpyridine
CID 175318056
3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
CID 70670025

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-methylsulfanylpyridine?
The IUPAC name of 3-chloro-2-methyl-4-methylsulfanylpyridine (CID 167047809) is 3-chloro-2-methyl-4-methylsulfanylpyridine.
What is the SMILES notation for 3-chloro-2-methyl-4-methylsulfanylpyridine?
The canonical SMILES for 3-chloro-2-methyl-4-methylsulfanylpyridine is CSc1ccnc(C)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-4-methylsulfanylpyridine?
The InChIKey is CGTMRPVDHMEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3.
What are the key properties of 3-chloro-2-methyl-4-methylsulfanylpyridine?
3-chloro-2-methyl-4-methylsulfanylpyridine has a molecular weight of 173.67 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-methylsulfanylpyridine is sourced from PubChem (CID 167047809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).