5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile

C10H6BrF2N3 — CID 130078886

IUPAC5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C#N)nc(C(F)F)c1CBr
InChIInChI=1S/C10H6BrF2N3/c11-4-8-6(1-2-14)3-7(5-15)16-9(8)10(12)13/h3,10H,1,4H2
InChIKeyFQELTGRNHUFCPB-UHFFFAOYSA-N
MW286.08 g/mol
LogP2.85
Rot. Bonds3

About 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile

5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130078886) has the molecular formula C10H6BrF2N3 and a molecular weight of 286.08 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130078886
Molecular FormulaC10H6BrF2N3
Molecular Weight286.08 g/mol
Exact Mass284.97
IUPAC Name5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C#N)nc(C(F)F)c1CBr
InChIInChI=1S/C10H6BrF2N3/c11-4-8-6(1-2-14)3-7(5-15)16-9(8)10(12)13/h3,10H,1,4H2
InChIKeyFQELTGRNHUFCPB-UHFFFAOYSA-N
XLogP2.85
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (CID 130078886) is 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is N#CCc1cc(C#N)nc(C(F)F)c1CBr.
What is the InChIKey of 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is FQELTGRNHUFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3/c11-4-8-6(1-2-14)3-7(5-15)16-9(8)10(12)13/h3,10H,1,4H2.
What are the key properties of 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 286.08 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130078886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).