2-chloro-3-deuterio-6-methylsulfanylpyridine

C6H6ClNS — CID 10953817

IUPAC2-chloro-3-deuterio-6-methylsulfanylpyridine
SMILES[2H]c1ccc(SC)nc1Cl
InChIInChI=1S/C6H6ClNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3/i3D
InChIKeyKVYNCXZSIHYSDF-WFVSFCRTSA-N
MW160.65 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-3-deuterio-6-methylsulfanylpyridine

2-chloro-3-deuterio-6-methylsulfanylpyridine (PubChem CID 10953817) has the molecular formula C6H6ClNS and a molecular weight of 160.65 g/mol. Its IUPAC name is 2-chloro-3-deuterio-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-3-deuterio-6-methylsulfanylpyridine
PubChem CID10953817
Molecular FormulaC6H6ClNS
Molecular Weight160.65 g/mol
Exact Mass160.00
IUPAC Name2-chloro-3-deuterio-6-methylsulfanylpyridine
SMILES[2H]c1ccc(SC)nc1Cl
InChIInChI=1S/C6H6ClNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3/i3D
InChIKeyKVYNCXZSIHYSDF-WFVSFCRTSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methylsulfanylpyridine
CID 1477089
6-methylsulfanylpyridin-2-amine
CID 23423787
2-bromo-6-methylsulfanylpyridine
CID 12560807
trimethyl-(6-methylsulfanyl-2-pyridinyl)silane
CID 10679443
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
ethane;2-methylsulfanylquinoline
CID 123701465
2-chloro-4-iodo-6-methylsulfanylpyrimidine
CID 139215040
N-(6-methylsulfanyl-2-pyridinyl)acetamide
CID 130710771
(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane
CID 15500898
2-[(6-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 63588434
3-[(6-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770920
2-fluoro-3-iodo-6-methylsulfanylpyridine
CID 131072382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-deuterio-6-methylsulfanylpyridine?
The IUPAC name of 2-chloro-3-deuterio-6-methylsulfanylpyridine (CID 10953817) is 2-chloro-3-deuterio-6-methylsulfanylpyridine.
What is the SMILES notation for 2-chloro-3-deuterio-6-methylsulfanylpyridine?
The canonical SMILES for 2-chloro-3-deuterio-6-methylsulfanylpyridine is [2H]c1ccc(SC)nc1Cl.
What is the InChIKey of 2-chloro-3-deuterio-6-methylsulfanylpyridine?
The InChIKey is KVYNCXZSIHYSDF-WFVSFCRTSA-N. The full InChI is InChI=1S/C6H6ClNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3/i3D.
What are the key properties of 2-chloro-3-deuterio-6-methylsulfanylpyridine?
2-chloro-3-deuterio-6-methylsulfanylpyridine has a molecular weight of 160.65 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-deuterio-6-methylsulfanylpyridine is sourced from PubChem (CID 10953817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).