3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

C16H11FN2O3 — CID 23149778

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C16H11FN2O3/c17-12-3-1-9(2-4-12)5-10-6-11-8-19-14(16(21)22)15(20)13(11)18-7-10/h1-4,6-8,20H,5H2,(H,21,22)
InChIKeyPQDQZWSHHBOBCG-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.76
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149778) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149778
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C16H11FN2O3/c17-12-3-1-9(2-4-12)5-10-6-11-8-19-14(16(21)22)15(20)13(11)18-7-10/h1-4,6-8,20H,5H2,(H,21,22)
InChIKeyPQDQZWSHHBOBCG-UHFFFAOYSA-N
XLogP2.76
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (CID 23149778) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is PQDQZWSHHBOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-12-3-1-9(2-4-12)5-10-6-11-8-19-14(16(21)22)15(20)13(11)18-7-10/h1-4,6-8,20H,5H2,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).