[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine

C13H12Cl2N2S — CID 114769905

IUPAC[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2S/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-11(14)12(15)6-10/h2-6H,7,16H2,1H3
InChIKeyOPLRSHDDBFAXNJ-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.31
Rot. Bonds3

About [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine

[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine (PubChem CID 114769905) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
PubChem CID114769905
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2S/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-11(14)12(15)6-10/h2-6H,7,16H2,1H3
InChIKeyOPLRSHDDBFAXNJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769868
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769914
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
CID 114769896
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
CID 80965067
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine (CID 114769905) is [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine is Cc1cc(CN)cc(Sc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The InChIKey is OPLRSHDDBFAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-11(14)12(15)6-10/h2-6H,7,16H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine has a molecular weight of 299.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114769905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).