N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide

C8H7F3N2O2 — CID 176996036

IUPACN-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(O)c(F)n1
InChIInChI=1S/C8H7F3N2O2/c9-6(10)3-12-8(15)4-1-2-5(14)7(11)13-4/h1-2,6,14H,3H2,(H,12,15)
InChIKeyKLTACTWGFHFNGI-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.92
Rot. Bonds3

About N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide

N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide (PubChem CID 176996036) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
PubChem CID176996036
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(O)c(F)n1
InChIInChI=1S/C8H7F3N2O2/c9-6(10)3-12-8(15)4-1-2-5(14)7(11)13-4/h1-2,6,14H,3H2,(H,12,15)
InChIKeyKLTACTWGFHFNGI-UHFFFAOYSA-N
XLogP0.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-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

Related Compounds

6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 169148875
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
(E)-3-[6-(2,2-difluoroethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 115408483
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 115408617
N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125017412
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-(2,2-difluoroethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 115408648
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide (CID 176996036) is N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide is O=C(NCC(F)F)c1ccc(O)c(F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide?
The InChIKey is KLTACTWGFHFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-6(10)3-12-8(15)4-1-2-5(14)7(11)13-4/h1-2,6,14H,3H2,(H,12,15).
What are the key properties of N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide?
N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 176996036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).