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

C8H5F3N2O2 — CID 133096340

IUPAC6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1nc(C#N)ccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-14-7-6(15-8(9,10)11)3-2-5(4-12)13-7/h2-3H,1H3
InChIKeyNCKJLRVSWFNPAT-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.86
Rot. Bonds2

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

6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133096340) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133096340
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCOc1nc(C#N)ccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-14-7-6(15-8(9,10)11)3-2-5(4-12)13-7/h2-3H,1H3
InChIKeyNCKJLRVSWFNPAT-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

5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096355
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
2-amino-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624032
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320
methyl 6-cyano-2-methoxypyridine-3-carboxylate
CID 131010870
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
4-methoxy-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carbonitrile
CID 21249827
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
methyl 3-cyano-4-(trifluoromethoxy)-2-(trifluoromethyl)benzoate
CID 134648154
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133096340) is 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile is COc1nc(C#N)ccc1OC(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is NCKJLRVSWFNPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-14-7-6(15-8(9,10)11)3-2-5(4-12)13-7/h2-3H,1H3.
What are the key properties of 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
6-methoxy-5-(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 6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133096340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).