(6-chloro-3-phenylpyridazin-4-yl) benzoate

C17H11ClN2O2 — CID 6401415

IUPAC(6-chloro-3-phenylpyridazin-4-yl) benzoate
SMILESO=C(Oc1cc(Cl)nnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H11ClN2O2/c18-15-11-14(22-17(21)13-9-5-2-6-10-13)16(20-19-15)12-7-3-1-4-8-12/h1-11H
InChIKeyXJDGQSJVVFFBRT-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.02
Rot. Bonds3

About (6-chloro-3-phenylpyridazin-4-yl) benzoate

(6-chloro-3-phenylpyridazin-4-yl) benzoate (PubChem CID 6401415) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is (6-chloro-3-phenylpyridazin-4-yl) benzoate.

Molecular Properties

Compound Name(6-chloro-3-phenylpyridazin-4-yl) benzoate
PubChem CID6401415
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name(6-chloro-3-phenylpyridazin-4-yl) benzoate
SMILESO=C(Oc1cc(Cl)nnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H11ClN2O2/c18-15-11-14(22-17(21)13-9-5-2-6-10-13)16(20-19-15)12-7-3-1-4-8-12/h1-11H
InChIKeyXJDGQSJVVFFBRT-UHFFFAOYSA-N
XLogP4.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-phenylpyridazin-4-yl) benzoate?
The IUPAC name of (6-chloro-3-phenylpyridazin-4-yl) benzoate (CID 6401415) is (6-chloro-3-phenylpyridazin-4-yl) benzoate.
What is the SMILES notation for (6-chloro-3-phenylpyridazin-4-yl) benzoate?
The canonical SMILES for (6-chloro-3-phenylpyridazin-4-yl) benzoate is O=C(Oc1cc(Cl)nnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (6-chloro-3-phenylpyridazin-4-yl) benzoate?
The InChIKey is XJDGQSJVVFFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-15-11-14(22-17(21)13-9-5-2-6-10-13)16(20-19-15)12-7-3-1-4-8-12/h1-11H.
What are the key properties of (6-chloro-3-phenylpyridazin-4-yl) benzoate?
(6-chloro-3-phenylpyridazin-4-yl) benzoate has a molecular weight of 310.74 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-phenylpyridazin-4-yl) benzoate is sourced from PubChem (CID 6401415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).