(3-chloro-6-methylpyridazin-4-yl)methanol

C6H7ClN2O — CID 20557656

IUPAC(3-chloro-6-methylpyridazin-4-yl)methanol
SMILESCc1cc(CO)c(Cl)nn1
InChIInChI=1S/C6H7ClN2O/c1-4-2-5(3-10)6(7)9-8-4/h2,10H,3H2,1H3
InChIKeyUJPLNNTWMLHQJX-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.93
Rot. Bonds1

About (3-chloro-6-methylpyridazin-4-yl)methanol

(3-chloro-6-methylpyridazin-4-yl)methanol (PubChem CID 20557656) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (3-chloro-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-6-methylpyridazin-4-yl)methanol
PubChem CID20557656
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(3-chloro-6-methylpyridazin-4-yl)methanol
SMILESCc1cc(CO)c(Cl)nn1
InChIInChI=1S/C6H7ClN2O/c1-4-2-5(3-10)6(7)9-8-4/h2,10H,3H2,1H3
InChIKeyUJPLNNTWMLHQJX-UHFFFAOYSA-N
XLogP0.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-6-methylpyridazin-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (3-chloro-6-methylpyridazin-4-yl)methanol (CID 20557656) is (3-chloro-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (3-chloro-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (3-chloro-6-methylpyridazin-4-yl)methanol is Cc1cc(CO)c(Cl)nn1.
What is the InChIKey of (3-chloro-6-methylpyridazin-4-yl)methanol?
The InChIKey is UJPLNNTWMLHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-2-5(3-10)6(7)9-8-4/h2,10H,3H2,1H3.
What are the key properties of (3-chloro-6-methylpyridazin-4-yl)methanol?
(3-chloro-6-methylpyridazin-4-yl)methanol has a molecular weight of 158.59 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 20557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).