[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol

C9H12ClN3O — CID 94407878

IUPAC[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c10-8-1-2-9(12-11-8)13-4-3-7(5-13)6-14/h1-2,7,14H,3-6H2/t7-/m1/s1
InChIKeyHTFSKHYHWLEQNQ-SSDOTTSWSA-N
MW213.67 g/mol
LogP0.95
Rot. Bonds2

About [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol

[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 94407878) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
PubChem CID94407878
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c10-8-1-2-9(12-11-8)13-4-3-7(5-13)6-14/h1-2,7,14H,3-6H2/t7-/m1/s1
InChIKeyHTFSKHYHWLEQNQ-SSDOTTSWSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]methanol
CID 130626069
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 167504088
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
[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 [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol (CID 94407878) is [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is HTFSKHYHWLEQNQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-1-2-9(12-11-8)13-4-3-7(5-13)6-14/h1-2,7,14H,3-6H2/t7-/m1/s1.
What are the key properties of [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol?
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol has a molecular weight of 213.67 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 94407878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).