3-bromopyridine-2,4-dicarbonitrile

C7H2BrN3 — CID 150877137

IUPAC3-bromopyridine-2,4-dicarbonitrile
SMILESN#Cc1ccnc(C#N)c1Br
InChIInChI=1S/C7H2BrN3/c8-7-5(3-9)1-2-11-6(7)4-10/h1-2H
InChIKeyKVFTVWPXUSDFKW-UHFFFAOYSA-N
MW208.02 g/mol
LogP1.59
Rot. Bonds

About 3-bromopyridine-2,4-dicarbonitrile

3-bromopyridine-2,4-dicarbonitrile (PubChem CID 150877137) has the molecular formula C7H2BrN3 and a molecular weight of 208.02 g/mol. Its IUPAC name is 3-bromopyridine-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-bromopyridine-2,4-dicarbonitrile
PubChem CID150877137
Molecular FormulaC7H2BrN3
Molecular Weight208.02 g/mol
Exact Mass206.94
IUPAC Name3-bromopyridine-2,4-dicarbonitrile
SMILESN#Cc1ccnc(C#N)c1Br
InChIInChI=1S/C7H2BrN3/c8-7-5(3-9)1-2-11-6(7)4-10/h1-2H
InChIKeyKVFTVWPXUSDFKW-UHFFFAOYSA-N
XLogP1.59
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.02
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloropyridine-4-carbonitrile
CID 130749452
3-bromo-2-fluoropyridine-4-carbonitrile
CID 121227725
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
3-bromo-4-cyclobutylpyridine-2-carbonitrile
CID 130138667
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016
3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile
CID 130138674
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
3-bromo-4-thiophen-3-ylpyridine-2-carbonitrile
CID 130138673
8-bromoisoquinoline-1-carbonitrile
CID 82571529
5-bromoquinoline-6-carbonitrile
CID 175111450
furo[2,3-b]pyridine-4-carbonitrile
CID 133054098
3,4-dimethylpyridine-2-carbonitrile
CID 23003409

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-2,4-dicarbonitrile?
The IUPAC name of 3-bromopyridine-2,4-dicarbonitrile (CID 150877137) is 3-bromopyridine-2,4-dicarbonitrile.
What is the SMILES notation for 3-bromopyridine-2,4-dicarbonitrile?
The canonical SMILES for 3-bromopyridine-2,4-dicarbonitrile is N#Cc1ccnc(C#N)c1Br.
What is the InChIKey of 3-bromopyridine-2,4-dicarbonitrile?
The InChIKey is KVFTVWPXUSDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrN3/c8-7-5(3-9)1-2-11-6(7)4-10/h1-2H.
What are the key properties of 3-bromopyridine-2,4-dicarbonitrile?
3-bromopyridine-2,4-dicarbonitrile has a molecular weight of 208.02 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-2,4-dicarbonitrile is sourced from PubChem (CID 150877137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).