4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine

C13H13FN2OS — CID 43299988

IUPAC4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(F)cc1CSc1ccncc1N
InChIInChI=1S/C13H13FN2OS/c1-17-12-3-2-10(14)6-9(12)8-18-13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyCOXOAPNWXHOAAW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds4

About 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine

4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43299988) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43299988
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
SMILESCOc1ccc(F)cc1CSc1ccncc1N
InChIInChI=1S/C13H13FN2OS/c1-17-12-3-2-10(14)6-9(12)8-18-13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyCOXOAPNWXHOAAW-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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine (CID 43299988) is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine is COc1ccc(F)cc1CSc1ccncc1N.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is COXOAPNWXHOAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-17-12-3-2-10(14)6-9(12)8-18-13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine?
4-[(5-fluoro-2-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 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).