2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile

C8H4Br2F2N2 — CID 130099030

IUPAC2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(Br)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-5-4(1-2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2
InChIKeyLATDQCKZCSIYRG-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.61
Rot. Bonds2

About 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130099030) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130099030
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(Br)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-5-4(1-2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2
InChIKeyLATDQCKZCSIYRG-UHFFFAOYSA-N
XLogP3.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[5-bromo-6-(difluoromethyl)-4-nitro-3-pyridinyl]acetonitrile
CID 130069827
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130099030) is 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(C(F)F)c(Br)c1Br.
What is the InChIKey of 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is LATDQCKZCSIYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-5-4(1-2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2.
What are the key properties of 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 325.94 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130099030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).