2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H7BrF3N3 — CID 79869473

IUPAC2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C13H7BrF3N3/c14-9-2-4-10(5-3-9)19-12-8(7-18)1-6-11(20-12)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYNKYDEDXQXYWJU-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.48
Rot. Bonds2

About 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79869473) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79869473
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C13H7BrF3N3/c14-9-2-4-10(5-3-9)19-12-8(7-18)1-6-11(20-12)13(15,16)17/h1-6H,(H,19,20)
InChIKeyYNKYDEDXQXYWJU-UHFFFAOYSA-N
XLogP4.48
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79869473) is 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YNKYDEDXQXYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-9-2-4-10(5-3-9)19-12-8(7-18)1-6-11(20-12)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 342.12 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79869473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).