5-methyl-2-pyridazin-3-yloxybenzoic acid

C12H10N2O3 — CID 62481837

IUPAC5-methyl-2-pyridazin-3-yloxybenzoic acid
SMILESCc1ccc(Oc2cccnn2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O3/c1-8-4-5-10(9(7-8)12(15)16)17-11-3-2-6-13-14-11/h2-7H,1H3,(H,15,16)
InChIKeyDNPVLBSWCHSARW-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.28
Rot. Bonds3

About 5-methyl-2-pyridazin-3-yloxybenzoic acid

5-methyl-2-pyridazin-3-yloxybenzoic acid (PubChem CID 62481837) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-methyl-2-pyridazin-3-yloxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-pyridazin-3-yloxybenzoic acid
PubChem CID62481837
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-methyl-2-pyridazin-3-yloxybenzoic acid
SMILESCc1ccc(Oc2cccnn2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O3/c1-8-4-5-10(9(7-8)12(15)16)17-11-3-2-6-13-14-11/h2-7H,1H3,(H,15,16)
InChIKeyDNPVLBSWCHSARW-UHFFFAOYSA-N
XLogP2.28
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
4-bromo-2-pyridazin-3-yloxybenzoic acid
CID 62482256
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
5-methyl-2-phthalazin-1-yloxybenzoic acid
CID 61396297
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377
5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 61396308
2-aminooxy-5-methylbenzoic acid
CID 154678313
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridazin-3-yloxybenzoic acid?
The IUPAC name of 5-methyl-2-pyridazin-3-yloxybenzoic acid (CID 62481837) is 5-methyl-2-pyridazin-3-yloxybenzoic acid.
What is the SMILES notation for 5-methyl-2-pyridazin-3-yloxybenzoic acid?
The canonical SMILES for 5-methyl-2-pyridazin-3-yloxybenzoic acid is Cc1ccc(Oc2cccnn2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-pyridazin-3-yloxybenzoic acid?
The InChIKey is DNPVLBSWCHSARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-4-5-10(9(7-8)12(15)16)17-11-3-2-6-13-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 5-methyl-2-pyridazin-3-yloxybenzoic acid?
5-methyl-2-pyridazin-3-yloxybenzoic acid has a molecular weight of 230.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridazin-3-yloxybenzoic acid is sourced from PubChem (CID 62481837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).