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

C9H10F2N2O3 — CID 106167999

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cccc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-12-8(16)6-2-1-3-7(15)13-6/h1-3,14H,4-5H2,(H,12,16)(H,13,15)
InChIKeyPNUCMHIAUOFIOO-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.27
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 106167999) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID106167999
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cccc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-12-8(16)6-2-1-3-7(15)13-6/h1-3,14H,4-5H2,(H,12,16)(H,13,15)
InChIKeyPNUCMHIAUOFIOO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide (CID 106167999) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide is O=C(NCC(F)(F)CO)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PNUCMHIAUOFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-12-8(16)6-2-1-3-7(15)13-6/h1-3,14H,4-5H2,(H,12,16)(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-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-2-carboxamide is sourced from PubChem (CID 106167999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).