7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one

C14H8ClN3O4 — CID 54730150

IUPAC7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2c(O)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)
InChIKeyAFHDFFVGTGXNPL-UHFFFAOYSA-N
MW317.69 g/mol
LogP2.86
Rot. Bonds2

About 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one

7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one (PubChem CID 54730150) has the molecular formula C14H8ClN3O4 and a molecular weight of 317.69 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one
PubChem CID54730150
Molecular FormulaC14H8ClN3O4
Molecular Weight317.69 g/mol
Exact Mass317.02
IUPAC Name7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2c(O)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)
InChIKeyAFHDFFVGTGXNPL-UHFFFAOYSA-N
XLogP2.86
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one (CID 54730150) is 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one is O=c1[nH]c2cc(Cl)cnc2c(O)c1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one?
The InChIKey is AFHDFFVGTGXNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20).
What are the key properties of 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one?
7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one has a molecular weight of 317.69 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(3-nitrophenyl)-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 54730150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).