2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol

C10H14ClN3O — CID 114799166

IUPAC2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C10H14ClN3O/c11-9-1-2-10(13-12-9)14-5-3-8(7-14)4-6-15/h1-2,8,15H,3-7H2
InChIKeySKBLLMCCWQMPFG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.34
Rot. Bonds3

About 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol

2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114799166) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
PubChem CID114799166
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C10H14ClN3O/c11-9-1-2-10(13-12-9)14-5-3-8(7-14)4-6-15/h1-2,8,15H,3-7H2
InChIKeySKBLLMCCWQMPFG-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
2-[4-(6-chloropyridazin-3-yl)morpholin-2-yl]ethanol
CID 19983176
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol
CID 116972925
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45186762

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol (CID 114799166) is 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is SKBLLMCCWQMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-1-2-10(13-12-9)14-5-3-8(7-14)4-6-15/h1-2,8,15H,3-7H2.
What are the key properties of 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol?
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 227.69 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).