2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C9H4F6N2O — CID 118854439

IUPAC2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(OC(F)(F)F)cc(F)nc1C(F)F
InChIInChI=1S/C9H4F6N2O/c10-6-3-5(18-9(13,14)15)4(1-2-16)7(17-6)8(11)12/h3,8H,1H2
InChIKeyKCAMBPQDUMQCQE-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 118854439) has the molecular formula C9H4F6N2O and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID118854439
Molecular FormulaC9H4F6N2O
Molecular Weight270.13 g/mol
Exact Mass270.02
IUPAC Name2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(OC(F)(F)F)cc(F)nc1C(F)F
InChIInChI=1S/C9H4F6N2O/c10-6-3-5(18-9(13,14)15)4(1-2-16)7(17-6)8(11)12/h3,8H,1H2
InChIKeyKCAMBPQDUMQCQE-UHFFFAOYSA-N
XLogP3.12
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022396
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 118823604
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804402
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134671001
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 118854439) is 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1c(OC(F)(F)F)cc(F)nc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is KCAMBPQDUMQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2O/c10-6-3-5(18-9(13,14)15)4(1-2-16)7(17-6)8(11)12/h3,8H,1H2.
What are the key properties of 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 270.13 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118854439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).