5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

C16H11F3N2O2 — CID 1471692

IUPAC5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C16H11F3N2O2/c1-9-14(10(2)22)6-11(8-20)15(21-9)23-13-5-3-4-12(7-13)16(17,18)19/h3-7H,1-2H3
InChIKeyKBNMIWIKBPXKCG-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.28
Rot. Bonds3

About 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 1471692) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID1471692
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C16H11F3N2O2/c1-9-14(10(2)22)6-11(8-20)15(21-9)23-13-5-3-4-12(7-13)16(17,18)19/h3-7H,1-2H3
InChIKeyKBNMIWIKBPXKCG-UHFFFAOYSA-N
XLogP4.28
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
CID 3314738
Methyl 5-cyano-6-(4-fluorophenoxy)-2-methylnicotinate
CID 1471656
Methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
CID 1471658
5-Acetyl-2-(2-methoxyphenoxy)-6-methylnicotinonitrile
CID 1471701
5-Acetyl-2-(3,5-dimethylphenoxy)-6-methylnicotinonitrile
CID 1471702
Ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylnicotinate
CID 2769128
Methyl 5-cyano-6-(2-methoxyphenoxy)-2-methylnicotinate
CID 1471663
5-Acetyl-6-methyl-2-phenoxynicotinonitrile
CID 1471671
5-Acetyl-2-(4-fluorophenoxy)-6-methylnicotinonitrile
CID 1471700
Ethyl 5-cyano-6-phenoxy-2-phenylpyridine-3-carboxylate
CID 2769125
Ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
(E)-2-{[2-(2,4-difluorophenoxy)-3-pyridinyl]carbonyl}-3-(dimethylamino)-2-propenenitrile
CID 6067861

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 1471692) is 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is KBNMIWIKBPXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-14(10(2)22)6-11(8-20)15(21-9)23-13-5-3-4-12(7-13)16(17,18)19/h3-7H,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 320.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 1471692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).