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

C8H4F4N2O — CID 133094891

IUPAC2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1OC(F)(F)F
InChIInChI=1S/C8H4F4N2O/c9-7-6(15-8(10,11)12)5(1-3-13)2-4-14-7/h2,4H,1H2
InChIKeyPFIZNMMHCDPLIN-UHFFFAOYSA-N
MW220.12 g/mol
LogP2.19
Rot. Bonds2

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

2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (PubChem CID 133094891) has the molecular formula C8H4F4N2O and a molecular weight of 220.12 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
PubChem CID133094891
Molecular FormulaC8H4F4N2O
Molecular Weight220.12 g/mol
Exact Mass220.03
IUPAC Name2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1OC(F)(F)F
InChIInChI=1S/C8H4F4N2O/c9-7-6(15-8(10,11)12)5(1-3-13)2-4-14-7/h2,4H,1H2
InChIKeyPFIZNMMHCDPLIN-UHFFFAOYSA-N
XLogP2.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 52.19
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-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
CID 130092162
4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
2-[6-iodo-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130112871
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[6-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118843867
2-[4-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094642
2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134678583
4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085
2-[6-bromo-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119014188
2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095482

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (CID 133094891) is 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is N#CCc1ccnc(F)c1OC(F)(F)F.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The InChIKey is PFIZNMMHCDPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O/c9-7-6(15-8(10,11)12)5(1-3-13)2-4-14-7/h2,4H,1H2.
What are the key properties of 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile has a molecular weight of 220.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).