5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine

C13H13ClN2S — CID 62886010

IUPAC5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1cccc(SCc2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2S/c1-9-3-2-4-10(7-9)17-8-12-11(14)5-6-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyUFFNSWUGTRQFHD-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.92
Rot. Bonds3

About 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine

5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62886010) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62886010
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1cccc(SCc2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H13ClN2S/c1-9-3-2-4-10(7-9)17-8-12-11(14)5-6-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyUFFNSWUGTRQFHD-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

6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 55127747
5-bromo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66307443
6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66087798
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 63487103
4-chloro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66087152
4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
CID 63221496
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine (CID 62886010) is 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine is Cc1cccc(SCc2nc(N)ccc2Cl)c1.
What is the InChIKey of 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is UFFNSWUGTRQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-9-3-2-4-10(7-9)17-8-12-11(14)5-6-13(15)16-12/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine?
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-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 5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62886010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).