5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one

C14H10FN3O — CID 171456884

IUPAC5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESNc1ccc(F)c(-c2ccnc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-8(16)7-11(12)9-5-6-17-14-10(9)2-4-13(19)18-14/h1-7H,16H2,(H,17,18,19)
InChIKeyORTSDFMYOXJTJD-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.31
Rot. Bonds1

About 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one

5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one (PubChem CID 171456884) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
PubChem CID171456884
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESNc1ccc(F)c(-c2ccnc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-8(16)7-11(12)9-5-6-17-14-10(9)2-4-13(19)18-14/h1-7H,16H2,(H,17,18,19)
InChIKeyORTSDFMYOXJTJD-UHFFFAOYSA-N
XLogP2.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 170349620
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
CID 164563738
5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563700
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
CID 164563669
5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
CID 89113718
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-fluoro-3-(4-methyl-2-pyridinyl)aniline
CID 22473541
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one (CID 171456884) is 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one is Nc1ccc(F)c(-c2ccnc3[nH]c(=O)ccc23)c1.
What is the InChIKey of 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is ORTSDFMYOXJTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-3-1-8(16)7-11(12)9-5-6-17-14-10(9)2-4-13(19)18-14/h1-7H,16H2,(H,17,18,19).
What are the key properties of 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 255.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 171456884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).