3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid

C12H9ClN2O3 — CID 61396298

IUPAC3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccc(Cl)nn1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-3-8(12(16)17)6-9(7)18-11-5-4-10(13)14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyKWTMQGCLSGKAOW-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.93
Rot. Bonds3

About 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid

3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid (PubChem CID 61396298) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
PubChem CID61396298
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccc(Cl)nn1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-3-8(12(16)17)6-9(7)18-11-5-4-10(13)14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyKWTMQGCLSGKAOW-UHFFFAOYSA-N
XLogP2.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
2-(6-chloropyridazin-3-yl)oxybenzoic acid
CID 61395460
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid?
The IUPAC name of 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid (CID 61396298) is 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1Oc1ccc(Cl)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid?
The InChIKey is KWTMQGCLSGKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-7-2-3-8(12(16)17)6-9(7)18-11-5-4-10(13)14-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid?
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid has a molecular weight of 264.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid is sourced from PubChem (CID 61396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).