6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

C8H5BrF2N2 — CID 118849411

IUPAC6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(F)F)c(CBr)n1
InChIInChI=1S/C8H5BrF2N2/c9-3-7-6(8(10)11)2-1-5(4-12)13-7/h1-2,8H,3H2
InChIKeyKRMBEYQNTNABST-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.79
Rot. Bonds2

About 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118849411) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118849411
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(F)F)c(CBr)n1
InChIInChI=1S/C8H5BrF2N2/c9-3-7-6(8(10)11)2-1-5(4-12)13-7/h1-2,8H,3H2
InChIKeyKRMBEYQNTNABST-UHFFFAOYSA-N
XLogP2.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.79
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

5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130095798
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile
CID 86674770
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
CID 170449568

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 118849411) is 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ccc(C(F)F)c(CBr)n1.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is KRMBEYQNTNABST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-3-7-6(8(10)11)2-1-5(4-12)13-7/h1-2,8H,3H2.
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 247.04 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118849411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).