2-amino-7-fluoro-1,6-naphthyridin-3-ol

C8H6FN3O — CID 146638632

IUPAC2-amino-7-fluoro-1,6-naphthyridin-3-ol
SMILESNc1nc2cc(F)ncc2cc1O
InChIInChI=1S/C8H6FN3O/c9-7-2-5-4(3-11-7)1-6(13)8(10)12-5/h1-3,13H,(H2,10,12)
InChIKeyXJWXFFWVYHQGRT-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.06
Rot. Bonds

About 2-amino-7-fluoro-1,6-naphthyridin-3-ol

2-amino-7-fluoro-1,6-naphthyridin-3-ol (PubChem CID 146638632) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-amino-7-fluoro-1,6-naphthyridin-3-ol.

Molecular Properties

Compound Name2-amino-7-fluoro-1,6-naphthyridin-3-ol
PubChem CID146638632
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-amino-7-fluoro-1,6-naphthyridin-3-ol
SMILESNc1nc2cc(F)ncc2cc1O
InChIInChI=1S/C8H6FN3O/c9-7-2-5-4(3-11-7)1-6(13)8(10)12-5/h1-3,13H,(H2,10,12)
InChIKeyXJWXFFWVYHQGRT-UHFFFAOYSA-N
XLogP1.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.06
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-amino-7-fluoro-1,6-naphthyridin-3-ol?
The IUPAC name of 2-amino-7-fluoro-1,6-naphthyridin-3-ol (CID 146638632) is 2-amino-7-fluoro-1,6-naphthyridin-3-ol.
What is the SMILES notation for 2-amino-7-fluoro-1,6-naphthyridin-3-ol?
The canonical SMILES for 2-amino-7-fluoro-1,6-naphthyridin-3-ol is Nc1nc2cc(F)ncc2cc1O.
What is the InChIKey of 2-amino-7-fluoro-1,6-naphthyridin-3-ol?
The InChIKey is XJWXFFWVYHQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-2-5-4(3-11-7)1-6(13)8(10)12-5/h1-3,13H,(H2,10,12).
What are the key properties of 2-amino-7-fluoro-1,6-naphthyridin-3-ol?
2-amino-7-fluoro-1,6-naphthyridin-3-ol has a molecular weight of 179.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-1,6-naphthyridin-3-ol is sourced from PubChem (CID 146638632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).