4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile

C10H8F2N2O — CID 7017241

IUPAC4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CC2)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F2N2O/c11-9(12)8-3-6(5-1-2-5)7(4-13)10(15)14-8/h3,5,9H,1-2H2,(H,14,15)
InChIKeyZZRWYNRJHHTMGI-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.06
Rot. Bonds2

About 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile

4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 7017241) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID7017241
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CC2)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F2N2O/c11-9(12)8-3-6(5-1-2-5)7(4-13)10(15)14-8/h3,5,9H,1-2H2,(H,14,15)
InChIKeyZZRWYNRJHHTMGI-UHFFFAOYSA-N
XLogP2.06
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 7017241) is 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C2CC2)cc(C(F)F)[nH]c1=O.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZZRWYNRJHHTMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-9(12)8-3-6(5-1-2-5)7(4-13)10(15)14-8/h3,5,9H,1-2H2,(H,14,15).
What are the key properties of 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 210.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 7017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).