2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile

C11H4Cl3FN2 — CID 166822994

IUPAC2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile
SMILESCc1c(Cl)cc2c(Cl)c(C#N)c(Cl)nc2c1F
InChIInChI=1S/C11H4Cl3FN2/c1-4-7(12)2-5-8(13)6(3-16)11(14)17-10(5)9(4)15/h2H,1H3
InChIKeyUOBNAILYGRGBPM-UHFFFAOYSA-N
MW289.52 g/mol
LogP4.51
Rot. Bonds

About 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile

2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile (PubChem CID 166822994) has the molecular formula C11H4Cl3FN2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile
PubChem CID166822994
Molecular FormulaC11H4Cl3FN2
Molecular Weight289.52 g/mol
Exact Mass287.94
IUPAC Name2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile
SMILESCc1c(Cl)cc2c(Cl)c(C#N)c(Cl)nc2c1F
InChIInChI=1S/C11H4Cl3FN2/c1-4-7(12)2-5-8(13)6(3-16)11(14)17-10(5)9(4)15/h2H,1H3
InChIKeyUOBNAILYGRGBPM-UHFFFAOYSA-N
XLogP4.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-ethyl-8-fluoro-4-methylquinoline-3-carbonitrile
CID 137434420
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
8-bromo-2,6-dichloro-3-methylquinoline-4-carbonitrile
CID 170753057
2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
CID 167120223
7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
5-chloro-4-fluoro-2,3-dimethylbenzonitrile
CID 166921944
7-bromo-2-chloro-4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinoline-3-carbonitrile
CID 175924244
ethyl 7-bromo-2,4,6-trichloro-8-fluoroquinoline-3-carboxylate
CID 155387599
7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
CID 71417952
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile?
The IUPAC name of 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile (CID 166822994) is 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile is Cc1c(Cl)cc2c(Cl)c(C#N)c(Cl)nc2c1F.
What is the InChIKey of 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile?
The InChIKey is UOBNAILYGRGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FN2/c1-4-7(12)2-5-8(13)6(3-16)11(14)17-10(5)9(4)15/h2H,1H3.
What are the key properties of 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile?
2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile has a molecular weight of 289.52 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 166822994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).