6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine

C12H11FN2OS — CID 43262695

IUPAC6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine
SMILESCOc1nc(Sc2ccccc2F)ccc1N
InChIInChI=1S/C12H11FN2OS/c1-16-12-9(14)6-7-11(15-12)17-10-5-3-2-4-8(10)13/h2-7H,14H2,1H3
InChIKeyNDKJBCMVTADWPH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.96
Rot. Bonds3

About 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine

6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine (PubChem CID 43262695) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine
PubChem CID43262695
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine
SMILESCOc1nc(Sc2ccccc2F)ccc1N
InChIInChI=1S/C12H11FN2OS/c1-16-12-9(14)6-7-11(15-12)17-10-5-3-2-4-8(10)13/h2-7H,14H2,1H3
InChIKeyNDKJBCMVTADWPH-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine (CID 43262695) is 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine is COc1nc(Sc2ccccc2F)ccc1N.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
The InChIKey is NDKJBCMVTADWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-16-12-9(14)6-7-11(15-12)17-10-5-3-2-4-8(10)13/h2-7H,14H2,1H3.
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine?
6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-2-methoxypyridin-3-amine is sourced from PubChem (CID 43262695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).