4,5,7-trichloro-6-fluoro-3-nitroquinoline

C9H2Cl3FN2O2 — CID 107577340

IUPAC4,5,7-trichloro-6-fluoro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2cc(Cl)c(F)c(Cl)c2c1Cl
InChIInChI=1S/C9H2Cl3FN2O2/c10-3-1-4-6(8(12)9(3)13)7(11)5(2-14-4)15(16)17/h1-2H
InChIKeyDXBZQCYFLJFBJY-UHFFFAOYSA-N
MW295.48 g/mol
LogP4.24
Rot. Bonds1

About 4,5,7-trichloro-6-fluoro-3-nitroquinoline

4,5,7-trichloro-6-fluoro-3-nitroquinoline (PubChem CID 107577340) has the molecular formula C9H2Cl3FN2O2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 4,5,7-trichloro-6-fluoro-3-nitroquinoline.

Molecular Properties

Compound Name4,5,7-trichloro-6-fluoro-3-nitroquinoline
PubChem CID107577340
Molecular FormulaC9H2Cl3FN2O2
Molecular Weight295.48 g/mol
Exact Mass293.92
IUPAC Name4,5,7-trichloro-6-fluoro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2cc(Cl)c(F)c(Cl)c2c1Cl
InChIInChI=1S/C9H2Cl3FN2O2/c10-3-1-4-6(8(12)9(3)13)7(11)5(2-14-4)15(16)17/h1-2H
InChIKeyDXBZQCYFLJFBJY-UHFFFAOYSA-N
XLogP4.24
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

6-bromo-4-chloro-5,8-difluoro-3-nitroquinoline
CID 107615385
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
5,8-dibromo-4-chloro-3-nitroquinoline
CID 102614186
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
CID 102613983
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
CID 86811579
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-6-fluoro-3-nitroquinoline?
The IUPAC name of 4,5,7-trichloro-6-fluoro-3-nitroquinoline (CID 107577340) is 4,5,7-trichloro-6-fluoro-3-nitroquinoline.
What is the SMILES notation for 4,5,7-trichloro-6-fluoro-3-nitroquinoline?
The canonical SMILES for 4,5,7-trichloro-6-fluoro-3-nitroquinoline is O=[N+]([O-])c1cnc2cc(Cl)c(F)c(Cl)c2c1Cl.
What is the InChIKey of 4,5,7-trichloro-6-fluoro-3-nitroquinoline?
The InChIKey is DXBZQCYFLJFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl3FN2O2/c10-3-1-4-6(8(12)9(3)13)7(11)5(2-14-4)15(16)17/h1-2H.
What are the key properties of 4,5,7-trichloro-6-fluoro-3-nitroquinoline?
4,5,7-trichloro-6-fluoro-3-nitroquinoline has a molecular weight of 295.48 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-6-fluoro-3-nitroquinoline is sourced from PubChem (CID 107577340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).