2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid

C12H9FN2O2 — CID 156523269

IUPAC2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(F)c2)nn1
InChIInChI=1S/C12H9FN2O2/c1-7-2-5-11(15-14-7)8-3-4-9(12(16)17)10(13)6-8/h2-6H,1H3,(H,16,17)
InChIKeyCUKWTMYWODOYGL-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.29
Rot. Bonds2

About 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid

2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid (PubChem CID 156523269) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid
PubChem CID156523269
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(F)c2)nn1
InChIInChI=1S/C12H9FN2O2/c1-7-2-5-11(15-14-7)8-3-4-9(12(16)17)10(13)6-8/h2-6H,1H3,(H,16,17)
InChIKeyCUKWTMYWODOYGL-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid (CID 156523269) is 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid is Cc1ccc(-c2ccc(C(=O)O)c(F)c2)nn1.
What is the InChIKey of 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid?
The InChIKey is CUKWTMYWODOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7-2-5-11(15-14-7)8-3-4-9(12(16)17)10(13)6-8/h2-6H,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid?
2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid has a molecular weight of 232.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-methylpyridazin-3-yl)benzoic acid is sourced from PubChem (CID 156523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).