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

C12H10N2O2 — CID 22317813

IUPAC3-(6-methylpyridazin-3-yl)benzoic acid
SMILESCc1ccc(-c2cccc(C(=O)O)c2)nn1
InChIInChI=1S/C12H10N2O2/c1-8-5-6-11(14-13-8)9-3-2-4-10(7-9)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyUAZTVNLFZADHML-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

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

3-(6-methylpyridazin-3-yl)benzoic acid (PubChem CID 22317813) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)benzoic acid
PubChem CID22317813
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(6-methylpyridazin-3-yl)benzoic acid
SMILESCc1ccc(-c2cccc(C(=O)O)c2)nn1
InChIInChI=1S/C12H10N2O2/c1-8-5-6-11(14-13-8)9-3-2-4-10(7-9)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyUAZTVNLFZADHML-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)benzoic acid?
The IUPAC name of 3-(6-methylpyridazin-3-yl)benzoic acid (CID 22317813) is 3-(6-methylpyridazin-3-yl)benzoic acid.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)benzoic acid?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)benzoic acid is Cc1ccc(-c2cccc(C(=O)O)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)benzoic acid?
The InChIKey is UAZTVNLFZADHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-5-6-11(14-13-8)9-3-2-4-10(7-9)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 3-(6-methylpyridazin-3-yl)benzoic acid?
3-(6-methylpyridazin-3-yl)benzoic acid has a molecular weight of 214.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)benzoic acid is sourced from PubChem (CID 22317813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).