4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile

C14H9F3N2O2 — CID 23441640

IUPAC4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCOc1ccc(C#N)cc1Oc1nc(F)c(F)c(C)c1F
InChIInChI=1S/C14H9F3N2O2/c1-7-11(15)13(17)19-14(12(7)16)21-10-5-8(6-18)3-4-9(10)20-2/h3-5H,1-2H3
InChIKeyMKRFJCFAAOIMHC-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.48
Rot. Bonds3

About 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile

4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 23441640) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile
PubChem CID23441640
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCOc1ccc(C#N)cc1Oc1nc(F)c(F)c(C)c1F
InChIInChI=1S/C14H9F3N2O2/c1-7-11(15)13(17)19-14(12(7)16)21-10-5-8(6-18)3-4-9(10)20-2/h3-5H,1-2H3
InChIKeyMKRFJCFAAOIMHC-UHFFFAOYSA-N
XLogP3.48
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-methoxybenzoic acid
CID 23441835
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9195351
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 21463678
3-ethenoxy-4-methoxybenzonitrile
CID 45091196
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
CID 70081497
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile (CID 23441640) is 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile is COc1ccc(C#N)cc1Oc1nc(F)c(F)c(C)c1F.
What is the InChIKey of 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is MKRFJCFAAOIMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-7-11(15)13(17)19-14(12(7)16)21-10-5-8(6-18)3-4-9(10)20-2/h3-5H,1-2H3.
What are the key properties of 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile?
4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 23441640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).