2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H4ClF5N2 — CID 134684089

IUPAC2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)c(C(F)F)cc1Cl
InChIInChI=1S/C9H4ClF5N2/c10-5-3-4(8(11)12)7(9(13,14)15)17-6(5)1-2-16/h3,8H,1H2
InChIKeyUVJSNLAFBZVCRK-UHFFFAOYSA-N
MW270.59 g/mol
LogP3.76
Rot. Bonds2

About 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134684089) has the molecular formula C9H4ClF5N2 and a molecular weight of 270.59 g/mol. Its IUPAC name is 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134684089
Molecular FormulaC9H4ClF5N2
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Name2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)c(C(F)F)cc1Cl
InChIInChI=1S/C9H4ClF5N2/c10-5-3-4(8(11)12)7(9(13,14)15)17-6(5)1-2-16/h3,8H,1H2
InChIKeyUVJSNLAFBZVCRK-UHFFFAOYSA-N
XLogP3.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134676120
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 134684089) is 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)(F)F)c(C(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is UVJSNLAFBZVCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF5N2/c10-5-3-4(8(11)12)7(9(13,14)15)17-6(5)1-2-16/h3,8H,1H2.
What are the key properties of 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 270.59 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134684089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).