2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile

C9H7BrF2N2 — CID 130078210

IUPAC2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C(F)F)cnc(CBr)c1C#N
InChIInChI=1S/C9H7BrF2N2/c1-5-6(3-13)8(2-10)14-4-7(5)9(11)12/h4,9H,2H2,1H3
InChIKeyJQNQKIOVHCHZDT-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.09
Rot. Bonds2

About 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile

2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile (PubChem CID 130078210) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
PubChem CID130078210
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C(F)F)cnc(CBr)c1C#N
InChIInChI=1S/C9H7BrF2N2/c1-5-6(3-13)8(2-10)14-4-7(5)9(11)12/h4,9H,2H2,1H3
InChIKeyJQNQKIOVHCHZDT-UHFFFAOYSA-N
XLogP3.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118804476
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
ethyl 2-[3-(bromomethyl)-4-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 133106722
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077991
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile (CID 130078210) is 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile is Cc1c(C(F)F)cnc(CBr)c1C#N.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile?
The InChIKey is JQNQKIOVHCHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-6(3-13)8(2-10)14-4-7(5)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile?
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile has a molecular weight of 261.07 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130078210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).