5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile

C9H7BrF2N2 — CID 130078238

IUPAC5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(C(F)F)c1CBr
InChIInChI=1S/C9H7BrF2N2/c1-5-7(2-10)8(9(11)12)6(3-13)4-14-5/h4,9H,2H2,1H3
InChIKeyGWYCNZBIQMAWBB-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.09
Rot. Bonds2

About 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 130078238) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
PubChem CID130078238
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(C(F)F)c1CBr
InChIInChI=1S/C9H7BrF2N2/c1-5-7(2-10)8(9(11)12)6(3-13)4-14-5/h4,9H,2H2,1H3
InChIKeyGWYCNZBIQMAWBB-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

5-(bromomethyl)-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130078966
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107081
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile (CID 130078238) is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile is Cc1ncc(C#N)c(C(F)F)c1CBr.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is GWYCNZBIQMAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-7(2-10)8(9(11)12)6(3-13)4-14-5/h4,9H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile?
5-(bromomethyl)-4-(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 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130078238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).