2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride

C13H14ClNOS — CID 19850813

IUPAC2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride
SMILESCOc1cccc(-c2ncccc2SC)c1.Cl
InChIInChI=1S/C13H13NOS.ClH/c1-15-11-6-3-5-10(9-11)13-12(16-2)7-4-8-14-13;/h3-9H,1-2H3;1H
InChIKeyCDTITIJTYWJKAE-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride

2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride (PubChem CID 19850813) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride
PubChem CID19850813
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride
SMILESCOc1cccc(-c2ncccc2SC)c1.Cl
InChIInChI=1S/C13H13NOS.ClH/c1-15-11-6-3-5-10(9-11)13-12(16-2)7-4-8-14-13;/h3-9H,1-2H3;1H
InChIKeyCDTITIJTYWJKAE-UHFFFAOYSA-N
XLogP3.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[2-(3-methoxyphenyl)-3-pyridinyl]ethanol
CID 117001607
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850804
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
2-(3-methoxyphenyl)-3-nitropyridin-4-amine
CID 67692647
4-(3-methoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59619134
4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
CID 141399612
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride (CID 19850813) is 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride is COc1cccc(-c2ncccc2SC)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride?
The InChIKey is CDTITIJTYWJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS.ClH/c1-15-11-6-3-5-10(9-11)13-12(16-2)7-4-8-14-13;/h3-9H,1-2H3;1H.
What are the key properties of 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride?
2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride has a molecular weight of 267.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride is sourced from PubChem (CID 19850813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).