3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile

C13H16F2N2O — CID 58874356

IUPAC3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile
SMILESCC(C)c1cc(OC(F)F)c(C#N)nc1C(C)C
InChIInChI=1S/C13H16F2N2O/c1-7(2)9-5-11(18-13(14)15)10(6-16)17-12(9)8(3)4/h5,7-8,13H,1-4H3
InChIKeyFLLBJUUUELTZPW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.80
Rot. Bonds4

About 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile

3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile (PubChem CID 58874356) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile
PubChem CID58874356
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile
SMILESCC(C)c1cc(OC(F)F)c(C#N)nc1C(C)C
InChIInChI=1S/C13H16F2N2O/c1-7(2)9-5-11(18-13(14)15)10(6-16)17-12(9)8(3)4/h5,7-8,13H,1-4H3
InChIKeyFLLBJUUUELTZPW-UHFFFAOYSA-N
XLogP3.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile (CID 58874356) is 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile is CC(C)c1cc(OC(F)F)c(C#N)nc1C(C)C.
What is the InChIKey of 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile?
The InChIKey is FLLBJUUUELTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-7(2)9-5-11(18-13(14)15)10(6-16)17-12(9)8(3)4/h5,7-8,13H,1-4H3.
What are the key properties of 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile?
3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile has a molecular weight of 254.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 58874356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).