6-benzylsulfanyl-2-chloropyridin-3-amine

C12H11ClN2S — CID 177315532

IUPAC6-benzylsulfanyl-2-chloropyridin-3-amine
SMILESNc1ccc(SCc2ccccc2)nc1Cl
InChIInChI=1S/C12H11ClN2S/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyWZIWGNBCSSJJNE-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.61
Rot. Bonds3

About 6-benzylsulfanyl-2-chloropyridin-3-amine

6-benzylsulfanyl-2-chloropyridin-3-amine (PubChem CID 177315532) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-chloropyridin-3-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-2-chloropyridin-3-amine
PubChem CID177315532
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name6-benzylsulfanyl-2-chloropyridin-3-amine
SMILESNc1ccc(SCc2ccccc2)nc1Cl
InChIInChI=1S/C12H11ClN2S/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyWZIWGNBCSSJJNE-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzylsulfanyl-2-chloropyrimidine
CID 51033897
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
4-benzylsulfanyltriazol-1-amine
CID 21423107
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
4-benzylsulfanyl-5-chloropyrimidin-2-amine
CID 80887728
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
4-benzylsulfanyl-6-chloro-2,5-dimethylpyrimidine
CID 63731221
6-benzylsulfanyl-8-chloroimidazo[1,5-a]pyrazine-3-carboxylic acid
CID 175600362
2-benzylsulfanyl-5-bromopyridine;5-bromo-2-chloropyridine
CID 160822537
5-amino-6-benzylsulfanylpyridine-2-carboxamide
CID 114409310
2-benzylsulfanyl-5-nitropyridine;6-benzylsulfanylpyridin-3-amine
CID 167555287
N-[(6-benzylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847143

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2-chloropyridin-3-amine?
The IUPAC name of 6-benzylsulfanyl-2-chloropyridin-3-amine (CID 177315532) is 6-benzylsulfanyl-2-chloropyridin-3-amine.
What is the SMILES notation for 6-benzylsulfanyl-2-chloropyridin-3-amine?
The canonical SMILES for 6-benzylsulfanyl-2-chloropyridin-3-amine is Nc1ccc(SCc2ccccc2)nc1Cl.
What is the InChIKey of 6-benzylsulfanyl-2-chloropyridin-3-amine?
The InChIKey is WZIWGNBCSSJJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9/h1-7H,8,14H2.
What are the key properties of 6-benzylsulfanyl-2-chloropyridin-3-amine?
6-benzylsulfanyl-2-chloropyridin-3-amine has a molecular weight of 250.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-chloropyridin-3-amine is sourced from PubChem (CID 177315532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).