5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile

C7H3BrF3N3O — CID 131279561

IUPAC5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)nc1Br
InChIInChI=1S/C7H3BrF3N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,13H2
InChIKeyNLLNMYZFJHXDGC-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131279561) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131279561
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(OC(F)(F)F)nc1Br
InChIInChI=1S/C7H3BrF3N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,13H2
InChIKeyNLLNMYZFJHXDGC-UHFFFAOYSA-N
XLogP2.20
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
5-amino-4-bromo-2-(trifluoromethoxy)benzonitrile
CID 131295537
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131279561) is 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cc(N)c(OC(F)(F)F)nc1Br.
What is the InChIKey of 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is NLLNMYZFJHXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,13H2.
What are the key properties of 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 282.02 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131279561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).