2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine

C6H3Br2F3N2O — CID 130093565

IUPAC2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNc1c(Br)cc(OC(F)(F)F)nc1Br
InChIInChI=1S/C6H3Br2F3N2O/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H,12H2
InChIKeyNXSFYZFWPXLBIO-UHFFFAOYSA-N
MW335.91 g/mol
LogP3.09
Rot. Bonds1

About 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine

2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine (PubChem CID 130093565) has the molecular formula C6H3Br2F3N2O and a molecular weight of 335.91 g/mol. Its IUPAC name is 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
PubChem CID130093565
Molecular FormulaC6H3Br2F3N2O
Molecular Weight335.91 g/mol
Exact Mass333.86
IUPAC Name2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNc1c(Br)cc(OC(F)(F)F)nc1Br
InChIInChI=1S/C6H3Br2F3N2O/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H,12H2
InChIKeyNXSFYZFWPXLBIO-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.91
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006706
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
4-bromo-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118845193
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine (CID 130093565) is 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine is Nc1c(Br)cc(OC(F)(F)F)nc1Br.
What is the InChIKey of 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is NXSFYZFWPXLBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F3N2O/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H,12H2.
What are the key properties of 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine?
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 335.91 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 130093565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).