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

C8H9F2N3O3 — CID 104857111

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-11-7(16)5-1-2-6(15)13-12-5/h1-2,14H,3-4H2,(H,11,16)(H,13,15)
InChIKeyQWBNERNGHSBNKF-UHFFFAOYSA-N
MW233.17 g/mol
LogP-0.87
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 104857111) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID104857111
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-11-7(16)5-1-2-6(15)13-12-5/h1-2,14H,3-4H2,(H,11,16)(H,13,15)
InChIKeyQWBNERNGHSBNKF-UHFFFAOYSA-N
XLogP-0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 104857111) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC(F)(F)CO)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QWBNERNGHSBNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-11-7(16)5-1-2-6(15)13-12-5/h1-2,14H,3-4H2,(H,11,16)(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 233.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 104857111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).