5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile

C8H5F3N2O2 — CID 133096355

IUPAC5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(C#N)nc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-14-6-3-2-5(4-12)13-7(6)15-8(9,10)11/h2-3H,1H3
InChIKeyMVIXEFDEUSNXED-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.86
Rot. Bonds2

About 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile

5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133096355) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133096355
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(C#N)nc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-14-6-3-2-5(4-12)13-7(6)15-8(9,10)11/h2-3H,1H3
InChIKeyMVIXEFDEUSNXED-UHFFFAOYSA-N
XLogP1.86
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096340
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
6-cyano-3-methoxypyridine-2-carbonyl chloride
CID 131090812
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile
CID 21249827
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133096355) is 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile is COc1ccc(C#N)nc1OC(F)(F)F.
What is the InChIKey of 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is MVIXEFDEUSNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-14-6-3-2-5(4-12)13-7(6)15-8(9,10)11/h2-3H,1H3.
What are the key properties of 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 218.13 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133096355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).