[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine

C12H11ClN2S — CID 64587188

IUPAC[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2S/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-14)15-12/h1-7H,8,14H2
InChIKeyKMOHHNUFRXEPKZ-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.34
Rot. Bonds3

About [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine

[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine (PubChem CID 64587188) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
PubChem CID64587188
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
SMILESNCc1cccc(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2S/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-14)15-12/h1-7H,8,14H2
InChIKeyKMOHHNUFRXEPKZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The IUPAC name of [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine (CID 64587188) is [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The canonical SMILES for [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine is NCc1cccc(Sc2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The InChIKey is KMOHHNUFRXEPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-14)15-12/h1-7H,8,14H2.
What are the key properties of [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine has a molecular weight of 250.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine is sourced from PubChem (CID 64587188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).