2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile

C9H8F2N2O2 — CID 118801176

IUPAC2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)c(=O)[nH]1
InChIInChI=1S/C9H8F2N2O2/c1-15-7-4-6(8(10)11)5(2-3-12)9(14)13-7/h4,8H,2H2,1H3,(H,13,14)
InChIKeyHWIPMVMCOMKIKT-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile

2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 118801176) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID118801176
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)c(=O)[nH]1
InChIInChI=1S/C9H8F2N2O2/c1-15-7-4-6(8(10)11)5(2-3-12)9(14)13-7/h4,8H,2H2,1H3,(H,13,14)
InChIKeyHWIPMVMCOMKIKT-UHFFFAOYSA-N
XLogP1.39
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile (CID 118801176) is 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile is COc1cc(C(F)F)c(CC#N)c(=O)[nH]1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is HWIPMVMCOMKIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-7-4-6(8(10)11)5(2-3-12)9(14)13-7/h4,8H,2H2,1H3,(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile?
2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile has a molecular weight of 214.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 118801176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).