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

C18H15FN2O4 — CID 23149769

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid
SMILESCC(O)c1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C18H15FN2O4/c1-9(22)14-13-7-11(6-10-2-4-12(19)5-3-10)8-20-15(13)17(23)16(21-14)18(24)25/h2-5,7-9,22-23H,6H2,1H3,(H,24,25)
InChIKeyZSWZEWOSPBLMJW-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.82
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149769) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149769
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid
SMILESCC(O)c1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C18H15FN2O4/c1-9(22)14-13-7-11(6-10-2-4-12(19)5-3-10)8-20-15(13)17(23)16(21-14)18(24)25/h2-5,7-9,22-23H,6H2,1H3,(H,24,25)
InChIKeyZSWZEWOSPBLMJW-UHFFFAOYSA-N
XLogP2.82
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid (CID 23149769) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid is CC(O)c1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is ZSWZEWOSPBLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-9(22)14-13-7-11(6-10-2-4-12(19)5-3-10)8-20-15(13)17(23)16(21-14)18(24)25/h2-5,7-9,22-23H,6H2,1H3,(H,24,25).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).