2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile

C9H5F5N2O2 — CID 118814774

IUPAC2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C9H5F5N2O2/c10-8(11)6-7(18-9(12,13)14)5(17)3-4(16-6)1-2-15/h3,8H,1H2,(H,16,17)
InChIKeyNYBXPSFFCUJUKC-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.28
Rot. Bonds3

About 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile

2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile (PubChem CID 118814774) has the molecular formula C9H5F5N2O2 and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
PubChem CID118814774
Molecular FormulaC9H5F5N2O2
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C9H5F5N2O2/c10-8(11)6-7(18-9(12,13)14)5(17)3-4(16-6)1-2-15/h3,8H,1H2,(H,16,17)
InChIKeyNYBXPSFFCUJUKC-UHFFFAOYSA-N
XLogP2.28
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile (CID 118814774) is 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile is N#CCc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1.
What is the InChIKey of 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile?
The InChIKey is NYBXPSFFCUJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O2/c10-8(11)6-7(18-9(12,13)14)5(17)3-4(16-6)1-2-15/h3,8H,1H2,(H,16,17).
What are the key properties of 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile?
2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile has a molecular weight of 268.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 118814774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).