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

C8H4F4N2 — CID 130099807

IUPAC2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
SMILESN#CCc1c(F)cnc(F)c1C(F)F
InChIInChI=1S/C8H4F4N2/c9-5-3-14-8(12)6(7(10)11)4(5)1-2-13/h3,7H,1H2
InChIKeyCDCQWJLKNYJGBY-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.36
Rot. Bonds2

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

2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile (PubChem CID 130099807) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
PubChem CID130099807
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
SMILESN#CCc1c(F)cnc(F)c1C(F)F
InChIInChI=1S/C8H4F4N2/c9-5-3-14-8(12)6(7(10)11)4(5)1-2-13/h3,7H,1H2
InChIKeyCDCQWJLKNYJGBY-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-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
CID 130081059
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
2-[3-(difluoromethyl)-5-fluoro-2-nitro-4-pyridinyl]acetonitrile
CID 133105093
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801
2-[4-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetonitrile
CID 118829553
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
CID 130081038
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133100436

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile (CID 130099807) is 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile is N#CCc1c(F)cnc(F)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile?
The InChIKey is CDCQWJLKNYJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-5-3-14-8(12)6(7(10)11)4(5)1-2-13/h3,7H,1H2.
What are the key properties of 2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-2,5-difluoro-4-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-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130099807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).