6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile

C9H5F5N2O — CID 118839308

IUPAC6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESCc1c(C#N)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H5F5N2O/c1-4-5(3-15)2-6(7(10)11)16-8(4)17-9(12,13)14/h2,7H,1H3
InChIKeyPCHYUIYUZISQQU-UHFFFAOYSA-N
MW252.14 g/mol
LogP3.10
Rot. Bonds2

About 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile

6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 118839308) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID118839308
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESCc1c(C#N)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H5F5N2O/c1-4-5(3-15)2-6(7(10)11)16-8(4)17-9(12,13)14/h2,7H,1H3
InChIKeyPCHYUIYUZISQQU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950
6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
2-[6-(difluoromethyl)-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133096242
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
CID 118828015
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191
methyl 4-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133106944
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile (CID 118839308) is 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile is Cc1c(C#N)cc(C(F)F)nc1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is PCHYUIYUZISQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c1-4-5(3-15)2-6(7(10)11)16-8(4)17-9(12,13)14/h2,7H,1H3.
What are the key properties of 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile?
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 252.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 118839308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).