[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C19H14ClN3O — CID 135316154

IUPAC[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
InChIInChI=1S/C19H14ClN3O/c20-16-6-2-5-15(10-16)18-11-21-19-8-7-17(22-23(18)19)14-4-1-3-13(9-14)12-24/h1-11,24H,12H2
InChIKeyOHLZQWMTGJMXNV-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.21
Rot. Bonds3

About [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 135316154) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID135316154
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
InChIInChI=1S/C19H14ClN3O/c20-16-6-2-5-15(10-16)18-11-21-19-8-7-17(22-23(18)19)14-4-1-3-13(9-14)12-24/h1-11,24H,12H2
InChIKeyOHLZQWMTGJMXNV-UHFFFAOYSA-N
XLogP4.21
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 135316154) is [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1.
What is the InChIKey of [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is OHLZQWMTGJMXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-6-2-5-15(10-16)18-11-21-19-8-7-17(22-23(18)19)14-4-1-3-13(9-14)12-24/h1-11,24H,12H2.
What are the key properties of [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 335.79 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 135316154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).