2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile

C9H7BrF2N2 — CID 118815705

IUPAC2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(CBr)c(C#N)cc1C(F)F
InChIInChI=1S/C9H7BrF2N2/c1-5-7(9(11)12)2-6(4-13)8(3-10)14-5/h2,9H,3H2,1H3
InChIKeyVIXBKPMJNVUGRT-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.09
Rot. Bonds2

About 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile

2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 118815705) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
PubChem CID118815705
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(CBr)c(C#N)cc1C(F)F
InChIInChI=1S/C9H7BrF2N2/c1-5-7(9(11)12)2-6(4-13)8(3-10)14-5/h2,9H,3H2,1H3
InChIKeyVIXBKPMJNVUGRT-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)-6-methylpyridine-3-carbaldehyde
CID 118844032
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
3-bromo-2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carbonitrile
CID 130108801
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile (CID 118815705) is 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile is Cc1nc(CBr)c(C#N)cc1C(F)F.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is VIXBKPMJNVUGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-7(9(11)12)2-6(4-13)8(3-10)14-5/h2,9H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
2-(bromomethyl)-5-(difluoromethyl)-6-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)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 118815705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).