2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile

C12H6Br2N4 — CID 161381350

IUPAC2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile
SMILESN#Cc1cccnc1Br.N#Cc1cncc(Br)c1
InChIInChI=1S/2C6H3BrN2/c7-6-1-5(2-8)3-9-4-6;7-6-5(4-8)2-1-3-9-6/h1,3-4H;1-3H
InChIKeyVRTLJTYUDHDFIS-UHFFFAOYSA-N
MW366.02 g/mol
LogP3.43
Rot. Bonds

About 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile

2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile (PubChem CID 161381350) has the molecular formula C12H6Br2N4 and a molecular weight of 366.02 g/mol. Its IUPAC name is 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile
PubChem CID161381350
Molecular FormulaC12H6Br2N4
Molecular Weight366.02 g/mol
Exact Mass363.90
IUPAC Name2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile
SMILESN#Cc1cccnc1Br.N#Cc1cncc(Br)c1
InChIInChI=1S/2C6H3BrN2/c7-6-1-5(2-8)3-9-4-6;7-6-5(4-8)2-1-3-9-6/h1,3-4H;1-3H
InChIKeyVRTLJTYUDHDFIS-UHFFFAOYSA-N
XLogP3.43
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.02
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine
CID 24874157
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
CID 61035009
3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 73011173
1,8-naphthyridine-3-carbonitrile
CID 54038594
3-bromo-5-ethynylpyridine;hydrochloride
CID 154574940
2-fluoropyridine-3-carbonitrile
CID 2783254
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
4-[(5-bromo-3-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 114002030
pyridine-2-carbonitrile;pyridine-3-carbonitrile
CID 23214769
3-bromo-5-(N-pyridin-3-ylanilino)benzonitrile
CID 69192997
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676829

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile?
The IUPAC name of 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile (CID 161381350) is 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile.
What is the SMILES notation for 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile?
The canonical SMILES for 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile is N#Cc1cccnc1Br.N#Cc1cncc(Br)c1.
What is the InChIKey of 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile?
The InChIKey is VRTLJTYUDHDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3BrN2/c7-6-1-5(2-8)3-9-4-6;7-6-5(4-8)2-1-3-9-6/h1,3-4H;1-3H.
What are the key properties of 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile?
2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile has a molecular weight of 366.02 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine-3-carbonitrile;5-bromopyridine-3-carbonitrile is sourced from PubChem (CID 161381350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).