2-(2,5-dibromoanilino)pyridine-3-carbonitrile

C12H7Br2N3 — CID 54955346

IUPAC2-(2,5-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br2N3/c13-9-3-4-10(14)11(6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17)
InChIKeyKWIXQFXMBYJVFK-UHFFFAOYSA-N
MW353.02 g/mol
LogP4.22
Rot. Bonds2

About 2-(2,5-dibromoanilino)pyridine-3-carbonitrile

2-(2,5-dibromoanilino)pyridine-3-carbonitrile (PubChem CID 54955346) has the molecular formula C12H7Br2N3 and a molecular weight of 353.02 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)pyridine-3-carbonitrile
PubChem CID54955346
Molecular FormulaC12H7Br2N3
Molecular Weight353.02 g/mol
Exact Mass350.90
IUPAC Name2-(2,5-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br2N3/c13-9-3-4-10(14)11(6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17)
InChIKeyKWIXQFXMBYJVFK-UHFFFAOYSA-N
XLogP4.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.02
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dibromoanilino)pyridine-3-carbonitrile (CID 54955346) is 2-(2,5-dibromoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dibromoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dibromoanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-(2,5-dibromoanilino)pyridine-3-carbonitrile?
The InChIKey is KWIXQFXMBYJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3/c13-9-3-4-10(14)11(6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(2,5-dibromoanilino)pyridine-3-carbonitrile?
2-(2,5-dibromoanilino)pyridine-3-carbonitrile has a molecular weight of 353.02 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54955346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).