2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline

C10H3BrClF3N2O2 — CID 22595770

IUPAC2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1c(Br)nc2ccc(Cl)cc2c1C(F)(F)F
InChIInChI=1S/C10H3BrClF3N2O2/c11-9-8(17(18)19)7(10(13,14)15)5-3-4(12)1-2-6(5)16-9/h1-3H
InChIKeyRLOXEHPODWZTJS-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.58
Rot. Bonds1

About 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline

2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline (PubChem CID 22595770) has the molecular formula C10H3BrClF3N2O2 and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline
PubChem CID22595770
Molecular FormulaC10H3BrClF3N2O2
Molecular Weight355.50 g/mol
Exact Mass353.90
IUPAC Name2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1c(Br)nc2ccc(Cl)cc2c1C(F)(F)F
InChIInChI=1S/C10H3BrClF3N2O2/c11-9-8(17(18)19)7(10(13,14)15)5-3-4(12)1-2-6(5)16-9/h1-3H
InChIKeyRLOXEHPODWZTJS-UHFFFAOYSA-N
XLogP4.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline?
The IUPAC name of 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline (CID 22595770) is 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline?
The canonical SMILES for 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline is O=[N+]([O-])c1c(Br)nc2ccc(Cl)cc2c1C(F)(F)F.
What is the InChIKey of 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline?
The InChIKey is RLOXEHPODWZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClF3N2O2/c11-9-8(17(18)19)7(10(13,14)15)5-3-4(12)1-2-6(5)16-9/h1-3H.
What are the key properties of 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline?
2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline has a molecular weight of 355.50 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 22595770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).