7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline

C16H9F3N2O2 — CID 146306890

IUPAC7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline
SMILESO=[N+]([O-])c1ccc2ccc(-c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)13-4-2-1-3-12(13)14-8-6-10-5-7-11(21(22)23)9-15(10)20-14/h1-9H
InChIKeyQYKHUPMZPLMIIJ-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.83
Rot. Bonds2

About 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline

7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline (PubChem CID 146306890) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline
PubChem CID146306890
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline
SMILESO=[N+]([O-])c1ccc2ccc(-c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)13-4-2-1-3-12(13)14-8-6-10-5-7-11(21(22)23)9-15(10)20-14/h1-9H
InChIKeyQYKHUPMZPLMIIJ-UHFFFAOYSA-N
XLogP4.83
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 169099644
3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 134627087
1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
CID 46314596
6-nitro-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazole-2-carboxamide
CID 121283635
1,3,5-trichloro-2-[5-nitro-2-(trifluoromethyl)phenyl]benzene
CID 134630364
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
7-nitro-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
CID 166447364
formaldehyde;bis(7-nitroquinoline)
CID 174420238
(2S)-2-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylpropanenitrile
CID 2324899
2-fluoro-1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 174425918
2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
CID 174575917
7-nitro-2-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]quinazoline
CID 163284249

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline (CID 146306890) is 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline is O=[N+]([O-])c1ccc2ccc(-c3ccccc3C(F)(F)F)nc2c1.
What is the InChIKey of 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline?
The InChIKey is QYKHUPMZPLMIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-16(18,19)13-4-2-1-3-12(13)14-8-6-10-5-7-11(21(22)23)9-15(10)20-14/h1-9H.
What are the key properties of 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline?
7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline has a molecular weight of 318.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 146306890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).