3-(6-methylpyridazin-3-yl)oxybenzoic acid

C12H10N2O3 — CID 61395653

IUPAC3-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cccc(C(=O)O)c2)nn1
InChIInChI=1S/C12H10N2O3/c1-8-5-6-11(14-13-8)17-10-4-2-3-9(7-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyPPQGDQLSTIZJLW-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.28
Rot. Bonds3

About 3-(6-methylpyridazin-3-yl)oxybenzoic acid

3-(6-methylpyridazin-3-yl)oxybenzoic acid (PubChem CID 61395653) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)oxybenzoic acid
PubChem CID61395653
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(6-methylpyridazin-3-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cccc(C(=O)O)c2)nn1
InChIInChI=1S/C12H10N2O3/c1-8-5-6-11(14-13-8)17-10-4-2-3-9(7-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyPPQGDQLSTIZJLW-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

N-cyclohexyl-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703754
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 71790002
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
4-(6-methylpyridazin-3-yl)oxyphenol
CID 61312729

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)oxybenzoic acid?
The IUPAC name of 3-(6-methylpyridazin-3-yl)oxybenzoic acid (CID 61395653) is 3-(6-methylpyridazin-3-yl)oxybenzoic acid.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)oxybenzoic acid?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)oxybenzoic acid is Cc1ccc(Oc2cccc(C(=O)O)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)oxybenzoic acid?
The InChIKey is PPQGDQLSTIZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-5-6-11(14-13-8)17-10-4-2-3-9(7-10)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 3-(6-methylpyridazin-3-yl)oxybenzoic acid?
3-(6-methylpyridazin-3-yl)oxybenzoic 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 3-(6-methylpyridazin-3-yl)oxybenzoic acid is sourced from PubChem (CID 61395653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).