6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine

C8H12ClN3S — CID 115474192

IUPAC6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
SMILESCSCCNc1nc(Cl)ccc1N
InChIInChI=1S/C8H12ClN3S/c1-13-5-4-11-8-6(10)2-3-7(9)12-8/h2-3H,4-5,10H2,1H3,(H,11,12)
InChIKeyWEQVNWGLXBGKLY-UHFFFAOYSA-N
MW217.73 g/mol
LogP2.09
Rot. Bonds4

About 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine

6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine (PubChem CID 115474192) has the molecular formula C8H12ClN3S and a molecular weight of 217.73 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
PubChem CID115474192
Molecular FormulaC8H12ClN3S
Molecular Weight217.73 g/mol
Exact Mass217.04
IUPAC Name6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
SMILESCSCCNc1nc(Cl)ccc1N
InChIInChI=1S/C8H12ClN3S/c1-13-5-4-11-8-6(10)2-3-7(9)12-8/h2-3H,4-5,10H2,1H3,(H,11,12)
InChIKeyWEQVNWGLXBGKLY-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
2-N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-6-chloropyridine-2,3-diamine
CID 110194434
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 115474096
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine (CID 115474192) is 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine is CSCCNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine?
The InChIKey is WEQVNWGLXBGKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-13-5-4-11-8-6(10)2-3-7(9)12-8/h2-3H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine?
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine has a molecular weight of 217.73 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).