6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C10H12F2N2O2 — CID 154046702

IUPAC6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1c(C(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H12F2N2O2/c1-5(2)14-7(8(11)12)4-3-6(9(13)15)10(14)16/h3-5,8H,1-2H3,(H2,13,15)
InChIKeyVQPFCYJTWFSCQC-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.47
Rot. Bonds3

About 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide

6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 154046702) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID154046702
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1c(C(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H12F2N2O2/c1-5(2)14-7(8(11)12)4-3-6(9(13)15)10(14)16/h3-5,8H,1-2H3,(H2,13,15)
InChIKeyVQPFCYJTWFSCQC-UHFFFAOYSA-N
XLogP1.47
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 154046702) is 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1c(C(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is VQPFCYJTWFSCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5(2)14-7(8(11)12)4-3-6(9(13)15)10(14)16/h3-5,8H,1-2H3,(H2,13,15).
What are the key properties of 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 230.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 154046702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).