5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile

C7H3BrF3N3O — CID 131279576

IUPAC5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-3(2-12)14-6(5(4)13)15-7(9,10)11/h1H,13H2
InChIKeyZBNBIFDQQHRPTM-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile

5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131279576) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131279576
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-3(2-12)14-6(5(4)13)15-7(9,10)11/h1H,13H2
InChIKeyZBNBIFDQQHRPTM-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

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Related Compounds

5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131279576) is 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(Br)c(N)c(OC(F)(F)F)n1.
What is the InChIKey of 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is ZBNBIFDQQHRPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-4-1-3(2-12)14-6(5(4)13)15-7(9,10)11/h1H,13H2.
What are the key properties of 5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-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-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).