(6-chloropyridazin-3-yl)methanol

C5H5ClN2O — CID 20557609

IUPAC(6-chloropyridazin-3-yl)methanol
SMILESOCc1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-2,9H,3H2
InChIKeyNEWRIXKPAGUARA-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.62
Rot. Bonds1

About (6-chloropyridazin-3-yl)methanol

(6-chloropyridazin-3-yl)methanol (PubChem CID 20557609) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)methanol
PubChem CID20557609
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name(6-chloropyridazin-3-yl)methanol
SMILESOCc1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-2,9H,3H2
InChIKeyNEWRIXKPAGUARA-UHFFFAOYSA-N
XLogP0.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)methanol?
The IUPAC name of (6-chloropyridazin-3-yl)methanol (CID 20557609) is (6-chloropyridazin-3-yl)methanol.
What is the SMILES notation for (6-chloropyridazin-3-yl)methanol?
The canonical SMILES for (6-chloropyridazin-3-yl)methanol is OCc1ccc(Cl)nn1.
What is the InChIKey of (6-chloropyridazin-3-yl)methanol?
The InChIKey is NEWRIXKPAGUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-2,9H,3H2.
What are the key properties of (6-chloropyridazin-3-yl)methanol?
(6-chloropyridazin-3-yl)methanol has a molecular weight of 144.56 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)methanol is sourced from PubChem (CID 20557609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).