(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate

C17H11ClN2O3 — CID 1472472

IUPAC(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate
SMILESO=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2O3/c18-13-6-4-5-12(11-13)17(22)23-15-9-10-16(21)20(19-15)14-7-2-1-3-8-14/h1-11H
InChIKeyUVZBXKZBQOUMDJ-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.11
Rot. Bonds3

About (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate

(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate (PubChem CID 1472472) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate.

Molecular Properties

Compound Name(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate
PubChem CID1472472
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate
SMILESO=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2O3/c18-13-6-4-5-12(11-13)17(22)23-15-9-10-16(21)20(19-15)14-7-2-1-3-8-14/h1-11H
InChIKeyUVZBXKZBQOUMDJ-UHFFFAOYSA-N
XLogP3.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
CID 835928
(1-phenylindol-3-yl) 3-chlorobenzoate
CID 70516219
6-methoxy-2-phenylpyridazin-3-one
CID 6456935
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 54678799

Frequently Asked Questions

What is the IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate?
The IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate (CID 1472472) is (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate.
What is the SMILES notation for (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate?
The canonical SMILES for (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate is O=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate?
The InChIKey is UVZBXKZBQOUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-13-6-4-5-12(11-13)17(22)23-15-9-10-16(21)20(19-15)14-7-2-1-3-8-14/h1-11H.
What are the key properties of (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate?
(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate has a molecular weight of 326.74 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate is sourced from PubChem (CID 1472472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).