7-chloro-3-nitro-8-(trichloromethyl)quinoline

C10H4Cl4N2O2 — CID 141314818

IUPAC7-chloro-3-nitro-8-(trichloromethyl)quinoline
SMILESO=[N+]([O-])c1cnc2c(C(Cl)(Cl)Cl)c(Cl)ccc2c1
InChIInChI=1S/C10H4Cl4N2O2/c11-7-2-1-5-3-6(16(17)18)4-15-9(5)8(7)10(12,13)14/h1-4H
InChIKeyWHXGYOKQMCAVSE-UHFFFAOYSA-N
MW325.97 g/mol
LogP4.62
Rot. Bonds1

About 7-chloro-3-nitro-8-(trichloromethyl)quinoline

7-chloro-3-nitro-8-(trichloromethyl)quinoline (PubChem CID 141314818) has the molecular formula C10H4Cl4N2O2 and a molecular weight of 325.97 g/mol. Its IUPAC name is 7-chloro-3-nitro-8-(trichloromethyl)quinoline.

Molecular Properties

Compound Name7-chloro-3-nitro-8-(trichloromethyl)quinoline
PubChem CID141314818
Molecular FormulaC10H4Cl4N2O2
Molecular Weight325.97 g/mol
Exact Mass323.90
IUPAC Name7-chloro-3-nitro-8-(trichloromethyl)quinoline
SMILESO=[N+]([O-])c1cnc2c(C(Cl)(Cl)Cl)c(Cl)ccc2c1
InChIInChI=1S/C10H4Cl4N2O2/c11-7-2-1-5-3-6(16(17)18)4-15-9(5)8(7)10(12,13)14/h1-4H
InChIKeyWHXGYOKQMCAVSE-UHFFFAOYSA-N
XLogP4.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
6-nitro-2-(trichloromethyl)quinoline-8-carboxylic acid
CID 154191333
N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278
8-bromo-2-chloro-6-nitroquinoline
CID 170331788
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
6-bromo-8-methyl-3-nitroquinoline
CID 119085199
(3-nitroquinolin-7-yl)methanesulfinate
CID 174560872
6,8-dinitroquinoline
CID 11106850
5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134617551
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-nitro-8-(trichloromethyl)quinoline?
The IUPAC name of 7-chloro-3-nitro-8-(trichloromethyl)quinoline (CID 141314818) is 7-chloro-3-nitro-8-(trichloromethyl)quinoline.
What is the SMILES notation for 7-chloro-3-nitro-8-(trichloromethyl)quinoline?
The canonical SMILES for 7-chloro-3-nitro-8-(trichloromethyl)quinoline is O=[N+]([O-])c1cnc2c(C(Cl)(Cl)Cl)c(Cl)ccc2c1.
What is the InChIKey of 7-chloro-3-nitro-8-(trichloromethyl)quinoline?
The InChIKey is WHXGYOKQMCAVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N2O2/c11-7-2-1-5-3-6(16(17)18)4-15-9(5)8(7)10(12,13)14/h1-4H.
What are the key properties of 7-chloro-3-nitro-8-(trichloromethyl)quinoline?
7-chloro-3-nitro-8-(trichloromethyl)quinoline has a molecular weight of 325.97 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-nitro-8-(trichloromethyl)quinoline is sourced from PubChem (CID 141314818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).