2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H6Br2F2N2 — CID 130070239

IUPAC2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(CBr)cc1Br
InChIInChI=1S/C9H6Br2F2N2/c10-4-5-3-6(11)7(1-2-14)15-8(5)9(12)13/h3,9H,1,4H2
InChIKeyAVNUQPHSYHULKK-UHFFFAOYSA-N
MW339.97 g/mol
LogP3.74
Rot. Bonds3

About 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130070239) has the molecular formula C9H6Br2F2N2 and a molecular weight of 339.97 g/mol. Its IUPAC name is 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130070239
Molecular FormulaC9H6Br2F2N2
Molecular Weight339.97 g/mol
Exact Mass337.89
IUPAC Name2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(CBr)cc1Br
InChIInChI=1S/C9H6Br2F2N2/c10-4-5-3-6(11)7(1-2-14)15-8(5)9(12)13/h3,9H,1,4H2
InChIKeyAVNUQPHSYHULKK-UHFFFAOYSA-N
XLogP3.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 53.74
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

2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804402
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130070239) is 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)c(CBr)cc1Br.
What is the InChIKey of 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is AVNUQPHSYHULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F2N2/c10-4-5-3-6(11)7(1-2-14)15-8(5)9(12)13/h3,9H,1,4H2.
What are the key properties of 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 339.97 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130070239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).