(6-chloropyridazin-3-yl)methanol;hydrochloride

C5H6Cl2N2O — CID 75480741

IUPAC(6-chloropyridazin-3-yl)methanol;hydrochloride
SMILESCl.OCc1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN2O.ClH/c6-5-2-1-4(3-9)7-8-5;/h1-2,9H,3H2;1H
InChIKeyXQVUVZUZWSNJRR-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.04
Rot. Bonds1

About (6-chloropyridazin-3-yl)methanol;hydrochloride

(6-chloropyridazin-3-yl)methanol;hydrochloride (PubChem CID 75480741) has the molecular formula C5H6Cl2N2O and a molecular weight of 181.02 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)methanol;hydrochloride
PubChem CID75480741
Molecular FormulaC5H6Cl2N2O
Molecular Weight181.02 g/mol
Exact Mass179.99
IUPAC Name(6-chloropyridazin-3-yl)methanol;hydrochloride
SMILESCl.OCc1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN2O.ClH/c6-5-2-1-4(3-9)7-8-5;/h1-2,9H,3H2;1H
InChIKeyXQVUVZUZWSNJRR-UHFFFAOYSA-N
XLogP1.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.04
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;hydrochloride?
The IUPAC name of (6-chloropyridazin-3-yl)methanol;hydrochloride (CID 75480741) is (6-chloropyridazin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (6-chloropyridazin-3-yl)methanol;hydrochloride?
The canonical SMILES for (6-chloropyridazin-3-yl)methanol;hydrochloride is Cl.OCc1ccc(Cl)nn1.
What is the InChIKey of (6-chloropyridazin-3-yl)methanol;hydrochloride?
The InChIKey is XQVUVZUZWSNJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O.ClH/c6-5-2-1-4(3-9)7-8-5;/h1-2,9H,3H2;1H.
What are the key properties of (6-chloropyridazin-3-yl)methanol;hydrochloride?
(6-chloropyridazin-3-yl)methanol;hydrochloride has a molecular weight of 181.02 g/mol, XLogP of 1.04, 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;hydrochloride is sourced from PubChem (CID 75480741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).