2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C10H6ClF5N2O — CID 134676120

IUPAC2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(OC(F)(F)F)c(C(F)F)cc1CCl
InChIInChI=1S/C10H6ClF5N2O/c11-4-5-3-6(8(12)13)9(19-10(14,15)16)18-7(5)1-2-17/h3,8H,1,4H2
InChIKeyIGGBZOSNOWGVHQ-UHFFFAOYSA-N
MW300.61 g/mol
LogP3.72
Rot. Bonds4

About 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 134676120) has the molecular formula C10H6ClF5N2O and a molecular weight of 300.61 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID134676120
Molecular FormulaC10H6ClF5N2O
Molecular Weight300.61 g/mol
Exact Mass300.01
IUPAC Name2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(OC(F)(F)F)c(C(F)F)cc1CCl
InChIInChI=1S/C10H6ClF5N2O/c11-4-5-3-6(8(12)13)9(19-10(14,15)16)18-7(5)1-2-17/h3,8H,1,4H2
InChIKeyIGGBZOSNOWGVHQ-UHFFFAOYSA-N
XLogP3.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485
2-[3-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094311
2-[3-(chloromethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130082190
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584
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-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 134676120) is 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is N#CCc1nc(OC(F)(F)F)c(C(F)F)cc1CCl.
What is the InChIKey of 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is IGGBZOSNOWGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5N2O/c11-4-5-3-6(8(12)13)9(19-10(14,15)16)18-7(5)1-2-17/h3,8H,1,4H2.
What are the key properties of 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 300.61 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134676120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).