6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile

C8H4BrF3N2 — CID 118843869

IUPAC6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CBr)c(F)cc1C(F)F
InChIInChI=1S/C8H4BrF3N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2
InChIKeyIMMDOUMXKCAAPR-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.92
Rot. Bonds2

About 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile

6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile (PubChem CID 118843869) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
PubChem CID118843869
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CBr)c(F)cc1C(F)F
InChIInChI=1S/C8H4BrF3N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2
InChIKeyIMMDOUMXKCAAPR-UHFFFAOYSA-N
XLogP2.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 52.92
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

6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078932
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130076337
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile (CID 118843869) is 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile is N#Cc1nc(CBr)c(F)cc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The InChIKey is IMMDOUMXKCAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2.
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile has a molecular weight of 265.03 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 118843869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).