[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine

C12H10Cl2N2S — CID 107061145

IUPAC[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
SMILESNCc1ccnc(Sc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,7,15H2
InChIKeyGMCUHZBMNUFOHF-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.00
Rot. Bonds3

About [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine

[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine (PubChem CID 107061145) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
PubChem CID107061145
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
SMILESNCc1ccnc(Sc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,7,15H2
InChIKeyGMCUHZBMNUFOHF-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine (CID 107061145) is [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine is NCc1ccnc(Sc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine?
The InChIKey is GMCUHZBMNUFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H,7,15H2.
What are the key properties of [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine?
[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine has a molecular weight of 285.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine is sourced from PubChem (CID 107061145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).