6-(2,4-dibromoanilino)pyridine-3-carbonitrile

C12H7Br2N3 — CID 54953901

IUPAC6-(2,4-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2Br)nc1
InChIInChI=1S/C12H7Br2N3/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyYMVQTLMGTYRNAW-UHFFFAOYSA-N
MW353.02 g/mol
LogP4.22
Rot. Bonds2

About 6-(2,4-dibromoanilino)pyridine-3-carbonitrile

6-(2,4-dibromoanilino)pyridine-3-carbonitrile (PubChem CID 54953901) has the molecular formula C12H7Br2N3 and a molecular weight of 353.02 g/mol. Its IUPAC name is 6-(2,4-dibromoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dibromoanilino)pyridine-3-carbonitrile
PubChem CID54953901
Molecular FormulaC12H7Br2N3
Molecular Weight353.02 g/mol
Exact Mass350.90
IUPAC Name6-(2,4-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2Br)nc1
InChIInChI=1S/C12H7Br2N3/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyYMVQTLMGTYRNAW-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 6-(2,4-dibromoanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,4-dibromoanilino)pyridine-3-carbonitrile (CID 54953901) is 6-(2,4-dibromoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dibromoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dibromoanilino)pyridine-3-carbonitrile is N#Cc1ccc(Nc2ccc(Br)cc2Br)nc1.
What is the InChIKey of 6-(2,4-dibromoanilino)pyridine-3-carbonitrile?
The InChIKey is YMVQTLMGTYRNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3/c13-9-2-3-11(10(14)5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17).
What are the key properties of 6-(2,4-dibromoanilino)pyridine-3-carbonitrile?
6-(2,4-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 6-(2,4-dibromoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54953901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).