5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid

C16H11BrFN3O2 — CID 71513529

IUPAC5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(Br)c2cccnc2c1NCc1ccc(F)cc1
InChIInChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)13(14(21-15)16(22)23)20-8-9-3-5-10(18)6-4-9/h1-7,20H,8H2,(H,22,23)
InChIKeyXYKXOZMWIWAQSA-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.84
Rot. Bonds4

About 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid

5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid (PubChem CID 71513529) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid
PubChem CID71513529
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(Br)c2cccnc2c1NCc1ccc(F)cc1
InChIInChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)13(14(21-15)16(22)23)20-8-9-3-5-10(18)6-4-9/h1-7,20H,8H2,(H,22,23)
InChIKeyXYKXOZMWIWAQSA-UHFFFAOYSA-N
XLogP3.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.84
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 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid (CID 71513529) is 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1nc(Br)c2cccnc2c1NCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is XYKXOZMWIWAQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)13(14(21-15)16(22)23)20-8-9-3-5-10(18)6-4-9/h1-7,20H,8H2,(H,22,23).
What are the key properties of 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid?
5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 376.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 71513529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).