N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C9H11F2N3O4 — CID 104857459

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O4/c10-9(11,5-15)4-12-7(17)3-14-8(18)2-1-6(16)13-14/h1-2,15H,3-5H2,(H,12,17)(H,13,16)
InChIKeyBOAAPPBPEYNKSZ-UHFFFAOYSA-N
MW263.20 g/mol
LogP-1.72
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 104857459) has the molecular formula C9H11F2N3O4 and a molecular weight of 263.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID104857459
Molecular FormulaC9H11F2N3O4
Molecular Weight263.20 g/mol
Exact Mass263.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O4/c10-9(11,5-15)4-12-7(17)3-14-8(18)2-1-6(16)13-14/h1-2,15H,3-5H2,(H,12,17)(H,13,16)
InChIKeyBOAAPPBPEYNKSZ-UHFFFAOYSA-N
XLogP-1.72
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 105648967
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 107363286
N-(2,2-difluoroethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 107482906
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483404
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031435
N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 66177479
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83188671
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide
CID 106843011
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 113294515

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 104857459) is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is BOAAPPBPEYNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O4/c10-9(11,5-15)4-12-7(17)3-14-8(18)2-1-6(16)13-14/h1-2,15H,3-5H2,(H,12,17)(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 263.20 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 104857459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).