3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile

C9H5F5N2O — CID 134669759

IUPAC3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C#N)nc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c1-17-6-2-4(8(10)11)5(3-15)16-7(6)9(12,13)14/h2,8H,1H3
InChIKeyGYDTXGVMMMFEBG-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.92
Rot. Bonds2

About 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile

3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 134669759) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID134669759
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C#N)nc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c1-17-6-2-4(8(10)11)5(3-15)16-7(6)9(12,13)14/h2,8H,1H3
InChIKeyGYDTXGVMMMFEBG-UHFFFAOYSA-N
XLogP2.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-amine
CID 119019307
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
2-[5-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
5-(difluoromethyl)-3-methoxy-2-methyl-6-(trifluoromethyl)pyridine
CID 133100071
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 130078133
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
CID 130076438
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 134669759) is 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile is COc1cc(C(F)F)c(C#N)nc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is GYDTXGVMMMFEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c1-17-6-2-4(8(10)11)5(3-15)16-7(6)9(12,13)14/h2,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 252.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134669759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).