2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile

C8H4ClF3N2 — CID 130071864

IUPAC2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H4ClF3N2/c9-6-5(10)3-4(1-2-13)14-7(6)8(11)12/h3,8H,1H2
InChIKeyCYQNZQUOTGMXFO-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.88
Rot. Bonds2

About 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile

2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile (PubChem CID 130071864) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
PubChem CID130071864
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H4ClF3N2/c9-6-5(10)3-4(1-2-13)14-7(6)8(11)12/h3,8H,1H2
InChIKeyCYQNZQUOTGMXFO-UHFFFAOYSA-N
XLogP2.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile (CID 130071864) is 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile is N#CCc1cc(F)c(Cl)c(C(F)F)n1.
What is the InChIKey of 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is CYQNZQUOTGMXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-6-5(10)3-4(1-2-13)14-7(6)8(11)12/h3,8H,1H2.
What are the key properties of 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130071864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).