2-bromo-6-methylpyridine-3,5-dicarbonitrile

C8H4BrN3 — CID 12535770

IUPAC2-bromo-6-methylpyridine-3,5-dicarbonitrile
SMILESCc1nc(Br)c(C#N)cc1C#N
InChIInChI=1S/C8H4BrN3/c1-5-6(3-10)2-7(4-11)8(9)12-5/h2H,1H3
InChIKeyUXHOMOUSTHAECR-UHFFFAOYSA-N
MW222.04 g/mol
LogP1.90
Rot. Bonds

About 2-bromo-6-methylpyridine-3,5-dicarbonitrile

2-bromo-6-methylpyridine-3,5-dicarbonitrile (PubChem CID 12535770) has the molecular formula C8H4BrN3 and a molecular weight of 222.04 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-bromo-6-methylpyridine-3,5-dicarbonitrile
PubChem CID12535770
Molecular FormulaC8H4BrN3
Molecular Weight222.04 g/mol
Exact Mass220.96
IUPAC Name2-bromo-6-methylpyridine-3,5-dicarbonitrile
SMILESCc1nc(Br)c(C#N)cc1C#N
InChIInChI=1S/C8H4BrN3/c1-5-6(3-10)2-7(4-11)8(9)12-5/h2H,1H3
InChIKeyUXHOMOUSTHAECR-UHFFFAOYSA-N
XLogP1.90
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-cyano-6-methylpyridine-3-carbothioamide
CID 12909855
6,7-difluoro-2-methylquinoline-3-carbonitrile
CID 154554859
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
benzene-1,2,4,5-tetracarbonitrile
CID 12838
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
CID 167650233
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
2,4-dibromo-5-methylbenzonitrile
CID 12580552
4-bromo-2,5-dimethylbenzonitrile
CID 56604249
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
5-amino-2-methyl-6-(propan-2-ylamino)pyridine-3-carbonitrile
CID 171789789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-bromo-6-methylpyridine-3,5-dicarbonitrile (CID 12535770) is 2-bromo-6-methylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-bromo-6-methylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-bromo-6-methylpyridine-3,5-dicarbonitrile is Cc1nc(Br)c(C#N)cc1C#N.
What is the InChIKey of 2-bromo-6-methylpyridine-3,5-dicarbonitrile?
The InChIKey is UXHOMOUSTHAECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3/c1-5-6(3-10)2-7(4-11)8(9)12-5/h2H,1H3.
What are the key properties of 2-bromo-6-methylpyridine-3,5-dicarbonitrile?
2-bromo-6-methylpyridine-3,5-dicarbonitrile has a molecular weight of 222.04 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 12535770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).