2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

C11H10ClN3O — CID 117106702

IUPAC2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2ccccc2O)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-9(13)6-8(14-15-11)5-7-3-1-2-4-10(7)16/h1-4,6,16H,5H2,(H2,13,14)
InChIKeyVXRWRHIVJAMNPT-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.01
Rot. Bonds2

About 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (PubChem CID 117106702) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
PubChem CID117106702
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2ccccc2O)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-9(13)6-8(14-15-11)5-7-3-1-2-4-10(7)16/h1-4,6,16H,5H2,(H2,13,14)
InChIKeyVXRWRHIVJAMNPT-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 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The IUPAC name of 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (CID 117106702) is 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The canonical SMILES for 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is Nc1cc(Cc2ccccc2O)nnc1Cl.
What is the InChIKey of 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The InChIKey is VXRWRHIVJAMNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-11-9(13)6-8(14-15-11)5-7-3-1-2-4-10(7)16/h1-4,6,16H,5H2,(H2,13,14).
What are the key properties of 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
2-[(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 2-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 117106702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).