3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid

C17H13FN2O3 — CID 23149777

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid
SMILESCc1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C17H13FN2O3/c1-9-13-7-11(6-10-2-4-12(18)5-3-10)8-19-14(13)16(21)15(20-9)17(22)23/h2-5,7-8,21H,6H2,1H3,(H,22,23)
InChIKeyLOQJWIGFOWSOOI-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.07
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149777) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149777
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid
SMILESCc1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C17H13FN2O3/c1-9-13-7-11(6-10-2-4-12(18)5-3-10)8-19-14(13)16(21)15(20-9)17(22)23/h2-5,7-8,21H,6H2,1H3,(H,22,23)
InChIKeyLOQJWIGFOWSOOI-UHFFFAOYSA-N
XLogP3.07
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.07
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-5-methyl-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid (CID 23149777) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid is Cc1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is LOQJWIGFOWSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-9-13-7-11(6-10-2-4-12(18)5-3-10)8-19-14(13)16(21)15(20-9)17(22)23/h2-5,7-8,21H,6H2,1H3,(H,22,23).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 3.07, 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-5-methyl-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).