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

C7H3BrF3N3O — CID 131279573

IUPAC4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H3BrF3N3O/c8-6-5(15-7(9,10)11)4(13)3(1-12)2-14-6/h2H,(H2,13,14)
InChIKeyARIFRPHXJSVQRI-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.20
Rot. Bonds1

About 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile

4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131279573) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131279573
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H3BrF3N3O/c8-6-5(15-7(9,10)11)4(13)3(1-12)2-14-6/h2H,(H2,13,14)
InChIKeyARIFRPHXJSVQRI-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

5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095321
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131279573) is 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(Br)c(OC(F)(F)F)c1N.
What is the InChIKey of 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is ARIFRPHXJSVQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-6-5(15-7(9,10)11)4(13)3(1-12)2-14-6/h2H,(H2,13,14).
What are the key properties of 4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile?
4-amino-6-bromo-5-(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-5-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131279573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).