2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine

C12H10Cl2N2S — CID 79260247

IUPAC2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine
SMILESNc1ccnc(CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2S/c13-8-1-2-11(14)12(5-8)17-7-10-6-9(15)3-4-16-10/h1-6H,7H2,(H2,15,16)
InChIKeyKLXZOGAWLXMGSX-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.26
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine

2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine (PubChem CID 79260247) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine
PubChem CID79260247
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine
SMILESNc1ccnc(CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2S/c13-8-1-2-11(14)12(5-8)17-7-10-6-9(15)3-4-16-10/h1-6H,7H2,(H2,15,16)
InChIKeyKLXZOGAWLXMGSX-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine
CID 107552246
4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
CID 79244809
2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
CID 79259807
2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
CID 79259350
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-5-(trifluoromethyl)aniline
CID 79255181
[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118876
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]pyridin-4-amine
CID 79260174
3-chloro-4-[(5-chloropyrazin-2-yl)methylsulfanyl]aniline
CID 103054963
4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
CID 107779318

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine (CID 79260247) is 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine is Nc1ccnc(CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine?
The InChIKey is KLXZOGAWLXMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c13-8-1-2-11(14)12(5-8)17-7-10-6-9(15)3-4-16-10/h1-6H,7H2,(H2,15,16).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine?
2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine has a molecular weight of 285.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine is sourced from PubChem (CID 79260247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).