3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile

C7H2BrClF2N2 — CID 130107774

IUPAC3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(Cl)c1Br
InChIInChI=1S/C7H2BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H
InChIKeyVTFBYAMSWAPGLG-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.31
Rot. Bonds1

About 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile

3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130107774) has the molecular formula C7H2BrClF2N2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130107774
Molecular FormulaC7H2BrClF2N2
Molecular Weight267.46 g/mol
Exact Mass265.91
IUPAC Name3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(Cl)c1Br
InChIInChI=1S/C7H2BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H
InChIKeyVTFBYAMSWAPGLG-UHFFFAOYSA-N
XLogP3.31
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 130076135
6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
CID 130075909
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile (CID 130107774) is 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)F)cc(Cl)c1Br.
What is the InChIKey of 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is VTFBYAMSWAPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H.
What are the key properties of 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile?
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 267.46 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130107774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).