[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine

C13H13ClN2OS — CID 81304113

IUPAC[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H13ClN2OS/c1-17-11-4-2-9(7-15)12(6-11)18-13-5-3-10(14)8-16-13/h2-6,8H,7,15H2,1H3
InChIKeyAGDQRAJIBXIOGJ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.35
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine

[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine (PubChem CID 81304113) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
PubChem CID81304113
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H13ClN2OS/c1-17-11-4-2-9(7-15)12(6-11)18-13-5-3-10(14)8-16-13/h2-6,8H,7,15H2,1H3
InChIKeyAGDQRAJIBXIOGJ-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 63696942
[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 115383195
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 81304317
[3-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]methanamine
CID 114070361
5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 81305407
[2-(1,3-benzoxazol-2-ylsulfanyl)-4-methoxyphenyl]methanamine
CID 81304611
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236232

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine (CID 81304113) is [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)c(Sc2ccc(Cl)cn2)c1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine?
The InChIKey is AGDQRAJIBXIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-17-11-4-2-9(7-15)12(6-11)18-13-5-3-10(14)8-16-13/h2-6,8H,7,15H2,1H3.
What are the key properties of [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine?
[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine has a molecular weight of 280.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81304113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).