2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine

C13H13ClN2S — CID 103288225

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
SMILESCc1cnc(SCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C13H13ClN2S/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3
InChIKeyIEGIHLDVSCIYOU-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.92
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine

2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine (PubChem CID 103288225) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
PubChem CID103288225
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
SMILESCc1cnc(SCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C13H13ClN2S/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3
InChIKeyIEGIHLDVSCIYOU-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 103290770
3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 7672143
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
ethyl 3-amino-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carboxylate
CID 103289167
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
CID 66278717
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
4-chloro-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 79582518
5-chloro-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62101603

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine (CID 103288225) is 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine is Cc1cnc(SCc2ccccc2Cl)c(N)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine?
The InChIKey is IEGIHLDVSCIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine?
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine has a molecular weight of 264.78 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).