4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

C11H10ClN3O — CID 117106828

IUPAC4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2ccc(O)cc2)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H2,13,14)
InChIKeyPRPFEZMTZHWYQU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.01
Rot. Bonds2

About 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol

4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (PubChem CID 117106828) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
PubChem CID117106828
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol
SMILESNc1cc(Cc2ccc(O)cc2)nnc1Cl
InChIInChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H2,13,14)
InChIKeyPRPFEZMTZHWYQU-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 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol (CID 117106828) is 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is Nc1cc(Cc2ccc(O)cc2)nnc1Cl.
What is the InChIKey of 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
The InChIKey is PRPFEZMTZHWYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-11-10(13)6-8(14-15-11)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H2,13,14).
What are the key properties of 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol?
4-[(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 4-[(5-amino-6-chloropyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 117106828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).