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

C7H3BrF3N3O — CID 131279572

IUPAC4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Br)nc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-5-1-4(13)3(2-12)6(14-5)15-7(9,10)11/h1H,(H2,13,14)
InChIKeyPZFNBSFGJIWUFS-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.20
Rot. Bonds1

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

4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131279572) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131279572
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Br)nc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-5-1-4(13)3(2-12)6(14-5)15-7(9,10)11/h1H,(H2,13,14)
InChIKeyPZFNBSFGJIWUFS-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

2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096277
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131279572) is 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(N)cc(Br)nc1OC(F)(F)F.
What is the InChIKey of 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is PZFNBSFGJIWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-5-1-4(13)3(2-12)6(14-5)15-7(9,10)11/h1H,(H2,13,14).
What are the key properties of 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
4-amino-6-bromo-2-(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 4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).