4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C15H7ClF3N3O3 — CID 170551449

IUPAC4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C15H7ClF3N3O3/c16-11-9-6-7-10(15(17,18)19)20-13(9)21(8-4-2-1-3-5-8)14(23)12(11)22(24)25/h1-7H
InChIKeyQLQLCVRBTQBZQA-UHFFFAOYSA-N
MW369.69 g/mol
LogP3.97
Rot. Bonds2

About 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 170551449) has the molecular formula C15H7ClF3N3O3 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID170551449
Molecular FormulaC15H7ClF3N3O3
Molecular Weight369.69 g/mol
Exact Mass369.01
IUPAC Name4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C15H7ClF3N3O3/c16-11-9-6-7-10(15(17,18)19)20-13(9)21(8-4-2-1-3-5-8)14(23)12(11)22(24)25/h1-7H
InChIKeyQLQLCVRBTQBZQA-UHFFFAOYSA-N
XLogP3.97
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 53.97
H-Bond Donors ≤ 50
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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Related Compounds

N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide
CID 158469877
4-Amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 162518366
4-Chloro-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 162518394
4-Chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752626
4-Chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752632
4-Chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752649
4-Chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752651
4-Chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile
CID 162752665
4-Chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752669
1-(2-Chloro-4-nitrophenyl)-4-(methylamino)-3-nitro-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 164562775
4-Amino-1-(2-chloro-4-nitrophenyl)-3-nitro-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 164562794
4,7-Dichloro-6-fluoro-3-nitro-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one
CID 166055733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 170551449) is 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is O=c1c([N+](=O)[O-])c(Cl)c2ccc(C(F)(F)F)nc2n1-c1ccccc1.
What is the InChIKey of 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is QLQLCVRBTQBZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N3O3/c16-11-9-6-7-10(15(17,18)19)20-13(9)21(8-4-2-1-3-5-8)14(23)12(11)22(24)25/h1-7H.
What are the key properties of 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 369.69 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 170551449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).