4-[(5-chloropyridazin-3-yl)methyl]phenol

C11H9ClN2O — CID 117106830

IUPAC4-[(5-chloropyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2cc(Cl)cnn2)cc1
InChIInChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)5-8-1-3-11(15)4-2-8/h1-4,6-7,15H,5H2
InChIKeyTWIJENZGGRNWTP-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.43
Rot. Bonds2

About 4-[(5-chloropyridazin-3-yl)methyl]phenol

4-[(5-chloropyridazin-3-yl)methyl]phenol (PubChem CID 117106830) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-[(5-chloropyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-chloropyridazin-3-yl)methyl]phenol
PubChem CID117106830
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-[(5-chloropyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2cc(Cl)cnn2)cc1
InChIInChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)5-8-1-3-11(15)4-2-8/h1-4,6-7,15H,5H2
InChIKeyTWIJENZGGRNWTP-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyridazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(5-chloropyridazin-3-yl)methyl]phenol (CID 117106830) is 4-[(5-chloropyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-chloropyridazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(5-chloropyridazin-3-yl)methyl]phenol is Oc1ccc(Cc2cc(Cl)cnn2)cc1.
What is the InChIKey of 4-[(5-chloropyridazin-3-yl)methyl]phenol?
The InChIKey is TWIJENZGGRNWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)5-8-1-3-11(15)4-2-8/h1-4,6-7,15H,5H2.
What are the key properties of 4-[(5-chloropyridazin-3-yl)methyl]phenol?
4-[(5-chloropyridazin-3-yl)methyl]phenol has a molecular weight of 220.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 117106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).