3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

C11H10ClN3O — CID 117106581

IUPAC3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2cccc(O)c2)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H2,13,14)
InChIKeySVFBGLAIFKIUOB-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.01
Rot. Bonds2

About 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (PubChem CID 117106581) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
PubChem CID117106581
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2cccc(O)c2)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H2,13,14)
InChIKeySVFBGLAIFKIUOB-UHFFFAOYSA-N
XLogP2.01
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The IUPAC name of 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (CID 117106581) is 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The canonical SMILES for 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is Nc1cc(Cc2cccc(O)c2)nnc1Cl.
What is the InChIKey of 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The InChIKey is SVFBGLAIFKIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H2,13,14).
What are the key properties of 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol has a molecular weight of 235.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 117106581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).