5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile

C8H4BrClF2N2 — CID 130108860

IUPAC5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)c(C(F)F)c1CCl
InChIInChI=1S/C8H4BrClF2N2/c9-5-3-14-6(2-13)4(1-10)7(5)8(11)12/h3,8H,1H2
InChIKeyGILPBOFBBSPDDZ-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.39
Rot. Bonds2

About 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile

5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130108860) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130108860
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)c(C(F)F)c1CCl
InChIInChI=1S/C8H4BrClF2N2/c9-5-3-14-6(2-13)4(1-10)7(5)8(11)12/h3,8H,1H2
InChIKeyGILPBOFBBSPDDZ-UHFFFAOYSA-N
XLogP3.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.39
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

3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130095942
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
5-(bromomethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079002
ethyl 2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106920
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile (CID 130108860) is 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(Br)c(C(F)F)c1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is GILPBOFBBSPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-5-3-14-6(2-13)4(1-10)7(5)8(11)12/h3,8H,1H2.
What are the key properties of 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 281.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130108860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).