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

C7H3BrF3N3O — CID 131279556

IUPAC5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-6-3(1-12)5(4(13)2-14-6)15-7(9,10)11/h2H,13H2
InChIKeyQDJHDVONTZPXQS-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131279556) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131279556
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-6-3(1-12)5(4(13)2-14-6)15-7(9,10)11/h2H,13H2
InChIKeyQDJHDVONTZPXQS-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

4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131614647
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131279556) is 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(Br)ncc(N)c1OC(F)(F)F.
What is the InChIKey of 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is QDJHDVONTZPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-6-3(1-12)5(4(13)2-14-6)15-7(9,10)11/h2H,13H2.
What are the key properties of 5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-2-bromo-4-(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-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).