4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile

C7HBrClF3N2O — CID 118844616

IUPAC4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(OC(F)(F)F)nc1Cl
InChIInChI=1S/C7HBrClF3N2O/c8-4-1-5(15-7(10,11)12)14-6(9)3(4)2-13/h1H
InChIKeyCAEYQCQNEMUWMD-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.27
Rot. Bonds1

About 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile

4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 118844616) has the molecular formula C7HBrClF3N2O and a molecular weight of 301.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID118844616
Molecular FormulaC7HBrClF3N2O
Molecular Weight301.45 g/mol
Exact Mass299.89
IUPAC Name4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(OC(F)(F)F)nc1Cl
InChIInChI=1S/C7HBrClF3N2O/c8-4-1-5(15-7(10,11)12)14-6(9)3(4)2-13/h1H
InChIKeyCAEYQCQNEMUWMD-UHFFFAOYSA-N
XLogP3.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloropyridine-3-carbonitrile
CID 154809886
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 130785777
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 118844616) is 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(Br)cc(OC(F)(F)F)nc1Cl.
What is the InChIKey of 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is CAEYQCQNEMUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrClF3N2O/c8-4-1-5(15-7(10,11)12)14-6(9)3(4)2-13/h1H.
What are the key properties of 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile?
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 301.45 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 118844616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).