2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol

C14H11FN2O2 — CID 25014934

IUPAC2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ccc(-c2cc3cc(O)ccc3o2)nc1F
InChIInChI=1S/C14H11FN2O2/c1-16-11-4-3-10(17-14(11)15)13-7-8-6-9(18)2-5-12(8)19-13/h2-7,16,18H,1H3
InChIKeyFXERARHKNULYEN-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.38
Rot. Bonds2

About 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol

2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol (PubChem CID 25014934) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
PubChem CID25014934
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ccc(-c2cc3cc(O)ccc3o2)nc1F
InChIInChI=1S/C14H11FN2O2/c1-16-11-4-3-10(17-14(11)15)13-7-8-6-9(18)2-5-12(8)19-13/h2-7,16,18H,1H3
InChIKeyFXERARHKNULYEN-UHFFFAOYSA-N
XLogP3.38
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
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 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol (CID 25014934) is 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol is CNc1ccc(-c2cc3cc(O)ccc3o2)nc1F.
What is the InChIKey of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol?
The InChIKey is FXERARHKNULYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-16-11-4-3-10(17-14(11)15)13-7-8-6-9(18)2-5-12(8)19-13/h2-7,16,18H,1H3.
What are the key properties of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol?
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol has a molecular weight of 258.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol is sourced from PubChem (CID 25014934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).