4,6-dibromopyridine-3-carbonitrile

C6H2Br2N2 — CID 118846664

IUPAC4,6-dibromopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)cc1Br
InChIInChI=1S/C6H2Br2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
InChIKeyRFIYZKRKHKXROB-UHFFFAOYSA-N
MW261.90 g/mol
LogP2.48
Rot. Bonds

About 4,6-dibromopyridine-3-carbonitrile

4,6-dibromopyridine-3-carbonitrile (PubChem CID 118846664) has the molecular formula C6H2Br2N2 and a molecular weight of 261.90 g/mol. Its IUPAC name is 4,6-dibromopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dibromopyridine-3-carbonitrile
PubChem CID118846664
Molecular FormulaC6H2Br2N2
Molecular Weight261.90 g/mol
Exact Mass259.86
IUPAC Name4,6-dibromopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)cc1Br
InChIInChI=1S/C6H2Br2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
InChIKeyRFIYZKRKHKXROB-UHFFFAOYSA-N
XLogP2.48
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.90
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromopyridine-3-carbonitrile?
The IUPAC name of 4,6-dibromopyridine-3-carbonitrile (CID 118846664) is 4,6-dibromopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dibromopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dibromopyridine-3-carbonitrile is N#Cc1cnc(Br)cc1Br.
What is the InChIKey of 4,6-dibromopyridine-3-carbonitrile?
The InChIKey is RFIYZKRKHKXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H.
What are the key properties of 4,6-dibromopyridine-3-carbonitrile?
4,6-dibromopyridine-3-carbonitrile has a molecular weight of 261.90 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromopyridine-3-carbonitrile is sourced from PubChem (CID 118846664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).