4,5-dibromopyridine-2-carbonitrile

C6H2Br2N2 — CID 118846548

IUPAC4,5-dibromopyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(Br)cn1
InChIInChI=1S/C6H2Br2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H
InChIKeyODKUQSFRMFUKGH-UHFFFAOYSA-N
MW261.90 g/mol
LogP2.48
Rot. Bonds

About 4,5-dibromopyridine-2-carbonitrile

4,5-dibromopyridine-2-carbonitrile (PubChem CID 118846548) has the molecular formula C6H2Br2N2 and a molecular weight of 261.90 g/mol. Its IUPAC name is 4,5-dibromopyridine-2-carbonitrile.

Molecular Properties

Compound Name4,5-dibromopyridine-2-carbonitrile
PubChem CID118846548
Molecular FormulaC6H2Br2N2
Molecular Weight261.90 g/mol
Exact Mass259.86
IUPAC Name4,5-dibromopyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(Br)cn1
InChIInChI=1S/C6H2Br2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H
InChIKeyODKUQSFRMFUKGH-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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromopyridine-2-carbonitrile?
The IUPAC name of 4,5-dibromopyridine-2-carbonitrile (CID 118846548) is 4,5-dibromopyridine-2-carbonitrile.
What is the SMILES notation for 4,5-dibromopyridine-2-carbonitrile?
The canonical SMILES for 4,5-dibromopyridine-2-carbonitrile is N#Cc1cc(Br)c(Br)cn1.
What is the InChIKey of 4,5-dibromopyridine-2-carbonitrile?
The InChIKey is ODKUQSFRMFUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H.
What are the key properties of 4,5-dibromopyridine-2-carbonitrile?
4,5-dibromopyridine-2-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 4,5-dibromopyridine-2-carbonitrile is sourced from PubChem (CID 118846548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).