(6-chloro-4,5-dimethylpyridazin-3-yl)methanol

C7H9ClN2O — CID 162520191

IUPAC(6-chloro-4,5-dimethylpyridazin-3-yl)methanol
SMILESCc1c(Cl)nnc(CO)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-5(2)7(8)10-9-6(4)3-11/h11H,3H2,1-2H3
InChIKeyJGZOYMVJVGDAPE-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.24
Rot. Bonds1

About (6-chloro-4,5-dimethylpyridazin-3-yl)methanol

(6-chloro-4,5-dimethylpyridazin-3-yl)methanol (PubChem CID 162520191) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is (6-chloro-4,5-dimethylpyridazin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4,5-dimethylpyridazin-3-yl)methanol
PubChem CID162520191
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name(6-chloro-4,5-dimethylpyridazin-3-yl)methanol
SMILESCc1c(Cl)nnc(CO)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-5(2)7(8)10-9-6(4)3-11/h11H,3H2,1-2H3
InChIKeyJGZOYMVJVGDAPE-UHFFFAOYSA-N
XLogP1.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4,5-dimethylpyridazin-3-yl)methanol?
The IUPAC name of (6-chloro-4,5-dimethylpyridazin-3-yl)methanol (CID 162520191) is (6-chloro-4,5-dimethylpyridazin-3-yl)methanol.
What is the SMILES notation for (6-chloro-4,5-dimethylpyridazin-3-yl)methanol?
The canonical SMILES for (6-chloro-4,5-dimethylpyridazin-3-yl)methanol is Cc1c(Cl)nnc(CO)c1C.
What is the InChIKey of (6-chloro-4,5-dimethylpyridazin-3-yl)methanol?
The InChIKey is JGZOYMVJVGDAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-5(2)7(8)10-9-6(4)3-11/h11H,3H2,1-2H3.
What are the key properties of (6-chloro-4,5-dimethylpyridazin-3-yl)methanol?
(6-chloro-4,5-dimethylpyridazin-3-yl)methanol has a molecular weight of 172.61 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4,5-dimethylpyridazin-3-yl)methanol is sourced from PubChem (CID 162520191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).