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

C7H3BrF3N3 — CID 131578012

IUPAC3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(C(F)(F)F)cc1N
InChIInChI=1S/C7H3BrF3N3/c8-6-3(7(9,10)11)1-4(13)5(2-12)14-6/h1H,13H2
InChIKeyLFBAVHSSLMEINK-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.32
Rot. Bonds

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

3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 131578012) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID131578012
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(C(F)(F)F)cc1N
InChIInChI=1S/C7H3BrF3N3/c8-6-3(7(9,10)11)1-4(13)5(2-12)14-6/h1H,13H2
InChIKeyLFBAVHSSLMEINK-UHFFFAOYSA-N
XLogP2.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 131578012) is 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(Br)c(C(F)(F)F)cc1N.
What is the InChIKey of 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LFBAVHSSLMEINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-6-3(7(9,10)11)1-4(13)5(2-12)14-6/h1H,13H2.
What are the key properties of 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 266.02 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 131578012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).