N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide

C10H12F2N2O3 — CID 107480333

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CCO)CC(F)F
InChIInChI=1S/C10H12F2N2O3/c11-8(12)6-14(3-4-15)10(17)7-1-2-9(16)13-5-7/h1-2,5,8,15H,3-4,6H2,(H,13,16)
InChIKeyBSGUTFSKMPSYIE-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.07
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 107480333) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID107480333
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CCO)CC(F)F
InChIInChI=1S/C10H12F2N2O3/c11-8(12)6-14(3-4-15)10(17)7-1-2-9(16)13-5-7/h1-2,5,8,15H,3-4,6H2,(H,13,16)
InChIKeyBSGUTFSKMPSYIE-UHFFFAOYSA-N
XLogP0.07
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 107480333) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BSGUTFSKMPSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c11-8(12)6-14(3-4-15)10(17)7-1-2-9(16)13-5-7/h1-2,5,8,15H,3-4,6H2,(H,13,16).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.21 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 107480333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).