(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol

C13H10FN3O — CID 67450913

IUPAC(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol
SMILESNc1nc2ccccc2c2c(CO)cc(F)nc12
InChIInChI=1S/C13H10FN3O/c14-10-5-7(6-18)11-8-3-1-2-4-9(8)16-13(15)12(11)17-10/h1-5,18H,6H2,(H2,15,16)
InChIKeyGTGYEMMFSAGRSO-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.00
Rot. Bonds1

About (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol

(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol (PubChem CID 67450913) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol.

Molecular Properties

Compound Name(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol
PubChem CID67450913
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol
SMILESNc1nc2ccccc2c2c(CO)cc(F)nc12
InChIInChI=1S/C13H10FN3O/c14-10-5-7(6-18)11-8-3-1-2-4-9(8)16-13(15)12(11)17-10/h1-5,18H,6H2,(H2,15,16)
InChIKeyGTGYEMMFSAGRSO-UHFFFAOYSA-N
XLogP2.00
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol?
The IUPAC name of (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol (CID 67450913) is (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol.
What is the SMILES notation for (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol?
The canonical SMILES for (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol is Nc1nc2ccccc2c2c(CO)cc(F)nc12.
What is the InChIKey of (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol?
The InChIKey is GTGYEMMFSAGRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-5-7(6-18)11-8-3-1-2-4-9(8)16-13(15)12(11)17-10/h1-5,18H,6H2,(H2,15,16).
What are the key properties of (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol?
(5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol has a molecular weight of 243.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol is sourced from PubChem (CID 67450913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).