N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

C9H10F2N2O3 — CID 104857618

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h1-3,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyQGDGLFYKXQRWDW-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.27
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 104857618) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID104857618
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h1-3,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyQGDGLFYKXQRWDW-UHFFFAOYSA-N
XLogP-0.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 104857618) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC(F)(F)CO)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QGDGLFYKXQRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h1-3,14H,4-5H2,(H,12,15)(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104857618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).