2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C7HBrF6N2O3 — CID 119006904

IUPAC2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Br)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C7HBrF6N2O3/c8-5-4(19-7(12,13)14)3(6(9,10)11)2(1-15-5)16(17)18/h1H
InChIKeyJKHPTAIPPIDLEP-UHFFFAOYSA-N
MW354.99 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 119006904) has the molecular formula C7HBrF6N2O3 and a molecular weight of 354.99 g/mol. Its IUPAC name is 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID119006904
Molecular FormulaC7HBrF6N2O3
Molecular Weight354.99 g/mol
Exact Mass353.91
IUPAC Name2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Br)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C7HBrF6N2O3/c8-5-4(19-7(12,13)14)3(6(9,10)11)2(1-15-5)16(17)18/h1H
InChIKeyJKHPTAIPPIDLEP-UHFFFAOYSA-N
XLogP3.67
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.99
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

4-bromo-2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridine
CID 118816421
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
methyl 2-[6-bromo-5-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133087735
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
CID 118848741
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
5-nitro-4-(trifluoromethyl)pyridin-3-ol
CID 131052344
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 119006904) is 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is O=[N+]([O-])c1cnc(Br)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is JKHPTAIPPIDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF6N2O3/c8-5-4(19-7(12,13)14)3(6(9,10)11)2(1-15-5)16(17)18/h1H.
What are the key properties of 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 354.99 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 119006904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).