6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine

C13H13FN2OS — CID 43301402

IUPAC6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(CSc2ccc(N)cn2)cc1F
InChIInChI=1S/C13H13FN2OS/c1-17-12-4-2-9(6-11(12)14)8-18-13-5-3-10(15)7-16-13/h2-7H,8,15H2,1H3
InChIKeyTZBNJHZDNOHVQF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds4

About 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine

6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43301402) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43301402
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(CSc2ccc(N)cn2)cc1F
InChIInChI=1S/C13H13FN2OS/c1-17-12-4-2-9(6-11(12)14)8-18-13-5-3-10(15)7-16-13/h2-7H,8,15H2,1H3
InChIKeyTZBNJHZDNOHVQF-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43301452
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
3-bromo-4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 82841653
6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301285
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
CID 112781074
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301201
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
CID 78851396
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine (CID 43301402) is 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine is COc1ccc(CSc2ccc(N)cn2)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is TZBNJHZDNOHVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-17-12-4-2-9(6-11(12)14)8-18-13-5-3-10(15)7-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).