2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid

C13H12N2O3 — CID 106550443

IUPAC2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid
SMILESCc1cnnc(Oc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C13H12N2O3/c1-9-6-12(15-14-8-9)18-11-4-2-10(3-5-11)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeySIHXWWPNMYXBRW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid

2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid (PubChem CID 106550443) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid
PubChem CID106550443
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid
SMILESCc1cnnc(Oc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C13H12N2O3/c1-9-6-12(15-14-8-9)18-11-4-2-10(3-5-11)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeySIHXWWPNMYXBRW-UHFFFAOYSA-N
XLogP2.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
CID 106549380
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
CID 81276255
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
CID 115055262
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-[4-[4-(diaminomethylideneamino)phenoxy]phenyl]acetic acid
CID 125329148
2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
CID 114585630
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid (CID 106550443) is 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid is Cc1cnnc(Oc2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid?
The InChIKey is SIHXWWPNMYXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-6-12(15-14-8-9)18-11-4-2-10(3-5-11)7-13(16)17/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid?
2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 106550443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).