4-bromo-3-methylpyridine-2-carbonitrile

C7H5BrN2 — CID 55253016

IUPAC4-bromo-3-methylpyridine-2-carbonitrile
SMILESCc1c(Br)ccnc1C#N
InChIInChI=1S/C7H5BrN2/c1-5-6(8)2-3-10-7(5)4-9/h2-3H,1H3
InChIKeyZXORKPPOJBWEQG-UHFFFAOYSA-N
MW197.03 g/mol
LogP2.02
Rot. Bonds

About 4-bromo-3-methylpyridine-2-carbonitrile

4-bromo-3-methylpyridine-2-carbonitrile (PubChem CID 55253016) has the molecular formula C7H5BrN2 and a molecular weight of 197.03 g/mol. Its IUPAC name is 4-bromo-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-3-methylpyridine-2-carbonitrile
PubChem CID55253016
Molecular FormulaC7H5BrN2
Molecular Weight197.03 g/mol
Exact Mass195.96
IUPAC Name4-bromo-3-methylpyridine-2-carbonitrile
SMILESCc1c(Br)ccnc1C#N
InChIInChI=1S/C7H5BrN2/c1-5-6(8)2-3-10-7(5)4-9/h2-3H,1H3
InChIKeyZXORKPPOJBWEQG-UHFFFAOYSA-N
XLogP2.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyanopyridine
CID 79
2,4-Dimethylpyridine
CID 7936
4-Cyanopyridine
CID 7506
Pyridine-2-carbonitrile
CID 7522
2,3-Lutidine
CID 11420
2,5-Dimethylpyridine
CID 11526
3-Pyridineacetonitrile
CID 80923
4-Ethyl-2-methylpyridine
CID 68307
2-[(E)-2-(4-bromophenyl)ethenyl]-1-methylpyridinium
CID 5926345
2-(4-Pyridinylmethylene)propanedinitrile
CID 44390
2-(Difluoromethyl)isonicotinonitrile
CID 75406284
2-Bromo-3-methylpyridine
CID 220832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylpyridine-2-carbonitrile?
The IUPAC name of 4-bromo-3-methylpyridine-2-carbonitrile (CID 55253016) is 4-bromo-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-3-methylpyridine-2-carbonitrile is Cc1c(Br)ccnc1C#N.
What is the InChIKey of 4-bromo-3-methylpyridine-2-carbonitrile?
The InChIKey is ZXORKPPOJBWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c1-5-6(8)2-3-10-7(5)4-9/h2-3H,1H3.
What are the key properties of 4-bromo-3-methylpyridine-2-carbonitrile?
4-bromo-3-methylpyridine-2-carbonitrile has a molecular weight of 197.03 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 55253016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).