2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine

C12H11ClN2OS — CID 114070766

IUPAC2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
SMILESCOc1ccccc1Sc1cc(N)cc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c1-16-9-4-2-3-5-10(9)17-12-7-8(14)6-11(13)15-12/h2-7H,1H3,(H2,14,15)
InChIKeySSIVMAIEEGHOAX-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine

2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine (PubChem CID 114070766) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
PubChem CID114070766
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
SMILESCOc1ccccc1Sc1cc(N)cc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c1-16-9-4-2-3-5-10(9)17-12-7-8(14)6-11(13)15-12/h2-7H,1H3,(H2,14,15)
InChIKeySSIVMAIEEGHOAX-UHFFFAOYSA-N
XLogP3.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-6-(2-methoxyphenyl)sulfanylpyrimidin-2-amine
CID 80923485
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80886236
3-fluoro-5-(2-methoxyphenyl)sulfanylaniline
CID 61298176
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
[2-(2-methoxyphenyl)sulfanyl-4-pyridinyl]methanamine
CID 61289802
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
6-(2-methoxyphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 61296899
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
4-(2-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
CID 61298177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine?
The IUPAC name of 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine (CID 114070766) is 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine?
The canonical SMILES for 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine is COc1ccccc1Sc1cc(N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine?
The InChIKey is SSIVMAIEEGHOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-16-9-4-2-3-5-10(9)17-12-7-8(14)6-11(13)15-12/h2-7H,1H3,(H2,14,15).
What are the key properties of 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine?
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine has a molecular weight of 266.75 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine is sourced from PubChem (CID 114070766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).