2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol

C18H13Br2ClN2O2 — CID 135870330

IUPAC2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol
SMILESCC(Oc1ccc(-c2cc(Br)c(O)c(Br)c2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H13Br2ClN2O2/c1-10(11-3-2-4-13(21)7-11)25-17-6-5-16(22-23-17)12-8-14(19)18(24)15(20)9-12/h2-10,24H,1H3
InChIKeyQAXZWDWQSFUPMA-UHFFFAOYSA-N
MW484.58 g/mol
LogP6.17
Rot. Bonds4

About 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol

2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol (PubChem CID 135870330) has the molecular formula C18H13Br2ClN2O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol
PubChem CID135870330
Molecular FormulaC18H13Br2ClN2O2
Molecular Weight484.58 g/mol
Exact Mass481.90
IUPAC Name2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol
SMILESCC(Oc1ccc(-c2cc(Br)c(O)c(Br)c2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H13Br2ClN2O2/c1-10(11-3-2-4-13(21)7-11)25-17-6-5-16(22-23-17)12-8-14(19)18(24)15(20)9-12/h2-10,24H,1H3
InChIKeyQAXZWDWQSFUPMA-UHFFFAOYSA-N
XLogP6.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol (CID 135870330) is 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol is CC(Oc1ccc(-c2cc(Br)c(O)c(Br)c2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The InChIKey is QAXZWDWQSFUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2ClN2O2/c1-10(11-3-2-4-13(21)7-11)25-17-6-5-16(22-23-17)12-8-14(19)18(24)15(20)9-12/h2-10,24H,1H3.
What are the key properties of 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol?
2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol has a molecular weight of 484.58 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[6-[1-(3-chlorophenyl)ethoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 135870330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).