5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine

C14H11FN2O — CID 58487414

IUPAC5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine
SMILESCc1cc2oc(F)cc2cc1-c1ccc(N)nc1
InChIInChI=1S/C14H11FN2O/c1-8-4-12-10(6-13(15)18-12)5-11(8)9-2-3-14(16)17-7-9/h2-7H,1H3,(H2,16,17)
InChIKeyLJAIHEUWWUHUMK-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.52
Rot. Bonds1

About 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine

5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine (PubChem CID 58487414) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine
PubChem CID58487414
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine
SMILESCc1cc2oc(F)cc2cc1-c1ccc(N)nc1
InChIInChI=1S/C14H11FN2O/c1-8-4-12-10(6-13(15)18-12)5-11(8)9-2-3-14(16)17-7-9/h2-7H,1H3,(H2,16,17)
InChIKeyLJAIHEUWWUHUMK-UHFFFAOYSA-N
XLogP3.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine?
The IUPAC name of 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine (CID 58487414) is 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine?
The canonical SMILES for 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine is Cc1cc2oc(F)cc2cc1-c1ccc(N)nc1.
What is the InChIKey of 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine?
The InChIKey is LJAIHEUWWUHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-8-4-12-10(6-13(15)18-12)5-11(8)9-2-3-14(16)17-7-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine?
5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine has a molecular weight of 242.25 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyridin-2-amine is sourced from PubChem (CID 58487414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).