2-bromo-4,5-dimethylpyridine-3-carbonitrile

C8H7BrN2 — CID 12919740

IUPAC2-bromo-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1cnc(Br)c(C#N)c1C
InChIInChI=1S/C8H7BrN2/c1-5-4-11-8(9)7(3-10)6(5)2/h4H,1-2H3
InChIKeyQRVGFTAEEAYPLI-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.33
Rot. Bonds

About 2-bromo-4,5-dimethylpyridine-3-carbonitrile

2-bromo-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 12919740) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 2-bromo-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-4,5-dimethylpyridine-3-carbonitrile
PubChem CID12919740
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name2-bromo-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1cnc(Br)c(C#N)c1C
InChIInChI=1S/C8H7BrN2/c1-5-4-11-8(9)7(3-10)6(5)2/h4H,1-2H3
InChIKeyQRVGFTAEEAYPLI-UHFFFAOYSA-N
XLogP2.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.33
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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Related Compounds

2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
CID 102345603
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
2-bromo-5-iodo-4,6-dimethylpyridine-3-carbonitrile
CID 135395004
CID 20574287
CID 20574287
2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
CID 138475559
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
6-bromo-5-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118998250
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-4,5-dimethylpyridine-3-carbonitrile (CID 12919740) is 2-bromo-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-4,5-dimethylpyridine-3-carbonitrile is Cc1cnc(Br)c(C#N)c1C.
What is the InChIKey of 2-bromo-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is QRVGFTAEEAYPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-4-11-8(9)7(3-10)6(5)2/h4H,1-2H3.
What are the key properties of 2-bromo-4,5-dimethylpyridine-3-carbonitrile?
2-bromo-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 211.06 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 12919740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).