6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C14H9F3N2O2 — CID 1472847

IUPAC6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCOc1ccccc1-c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-21-12-5-3-2-4-8(12)11-6-10(14(15,16)17)9(7-18)13(20)19-11/h2-6H,1H3,(H,19,20)
InChIKeyYKPCVEAZTCLLGS-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.94
Rot. Bonds2

About 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 1472847) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID1472847
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCOc1ccccc1-c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-21-12-5-3-2-4-8(12)11-6-10(14(15,16)17)9(7-18)13(20)19-11/h2-6H,1H3,(H,19,20)
InChIKeyYKPCVEAZTCLLGS-UHFFFAOYSA-N
XLogP2.94
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 1472847) is 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is COc1ccccc1-c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is YKPCVEAZTCLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-21-12-5-3-2-4-8(12)11-6-10(14(15,16)17)9(7-18)13(20)19-11/h2-6H,1H3,(H,19,20).
What are the key properties of 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 294.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1472847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).