4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine

C13H13FN2O2S — CID 62112986

IUPAC4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)c2ccncc2N)cc1F
InChIInChI=1S/C13H13FN2O2S/c1-18-12-3-2-9(6-10(12)14)8-19(17)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyGAHSXTMPVGWKJS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds4

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

4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 62112986) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
PubChem CID62112986
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)c2ccncc2N)cc1F
InChIInChI=1S/C13H13FN2O2S/c1-18-12-3-2-9(6-10(12)14)8-19(17)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3
InChIKeyGAHSXTMPVGWKJS-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-amino-4-pyridinyl)sulfinylmethyl]-2-fluorobenzonitrile
CID 107885897
4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 62113991
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 81184801
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
4-[(4-amino-3-fluorophenyl)sulfinylmethyl]-2-methoxybenzonitrile
CID 106794550
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine (CID 62112986) is 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine is COc1ccc(CS(=O)c2ccncc2N)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is GAHSXTMPVGWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-18-12-3-2-9(6-10(12)14)8-19(17)13-4-5-16-7-11(13)15/h2-7H,8,15H2,1H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 62112986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).