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

C14H11FN2O2 — CID 25015019

IUPAC6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine
SMILESCOc1ccc2oc(-c3ccc(N)nc3F)cc2c1
InChIInChI=1S/C14H11FN2O2/c1-18-9-2-4-11-8(6-9)7-12(19-11)10-3-5-13(16)17-14(10)15/h2-7H,1H3,(H2,16,17)
InChIKeyNXKHCMJNTQJOCQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.22
Rot. Bonds2

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

6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine (PubChem CID 25015019) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine
PubChem CID25015019
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine
SMILESCOc1ccc2oc(-c3ccc(N)nc3F)cc2c1
InChIInChI=1S/C14H11FN2O2/c1-18-9-2-4-11-8(6-9)7-12(19-11)10-3-5-13(16)17-14(10)15/h2-7H,1H3,(H2,16,17)
InChIKeyNXKHCMJNTQJOCQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine (CID 25015019) is 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine is COc1ccc2oc(-c3ccc(N)nc3F)cc2c1.
What is the InChIKey of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine?
The InChIKey is NXKHCMJNTQJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-18-9-2-4-11-8(6-9)7-12(19-11)10-3-5-13(16)17-14(10)15/h2-7H,1H3,(H2,16,17).
What are the key properties of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine?
6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine has a molecular weight of 258.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridin-2-amine is sourced from PubChem (CID 25015019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).