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

C8H4F4N2 — CID 119012339

IUPAC2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(F)nc1C(F)F
InChIInChI=1S/C8H4F4N2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2
InChIKeyUWWRPZWWDVWJJW-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.36
Rot. Bonds2

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

2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile (PubChem CID 119012339) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
PubChem CID119012339
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)c(F)nc1C(F)F
InChIInChI=1S/C8H4F4N2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2
InChIKeyUWWRPZWWDVWJJW-UHFFFAOYSA-N
XLogP2.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[3-(chloromethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130082190
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile (CID 119012339) is 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile is N#CCc1cc(F)c(F)nc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile?
The InChIKey is UWWRPZWWDVWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-5-3-4(1-2-13)6(7(10)11)14-8(5)12/h3,7H,1H2.
What are the key properties of 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile has a molecular weight of 204.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119012339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).