6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine

C13H13FN2O — CID 58415871

IUPAC6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine
SMILESCOc1ccc(F)c(-c2cc(C)c(N)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-8-5-13(16-7-12(8)15)10-6-9(17-2)3-4-11(10)14/h3-7H,15H2,1-2H3
InChIKeyAUABSDSEFRVWTL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.79
Rot. Bonds2

About 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine

6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine (PubChem CID 58415871) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine
PubChem CID58415871
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine
SMILESCOc1ccc(F)c(-c2cc(C)c(N)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-8-5-13(16-7-12(8)15)10-6-9(17-2)3-4-11(10)14/h3-7H,15H2,1-2H3
InChIKeyAUABSDSEFRVWTL-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine (CID 58415871) is 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine is COc1ccc(F)c(-c2cc(C)c(N)cn2)c1.
What is the InChIKey of 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine?
The InChIKey is AUABSDSEFRVWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-5-13(16-7-12(8)15)10-6-9(17-2)3-4-11(10)14/h3-7H,15H2,1-2H3.
What are the key properties of 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine?
6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine has a molecular weight of 232.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 58415871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).