6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid

C11H6F2N2O2 — CID 175721112

IUPAC6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)10(6)8-4-5-9(11(16)17)15-14-8/h1-5H,(H,16,17)
InChIKeyAKEBEVONDQEVKC-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.12
Rot. Bonds2

About 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid

6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid (PubChem CID 175721112) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid
PubChem CID175721112
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)10(6)8-4-5-9(11(16)17)15-14-8/h1-5H,(H,16,17)
InChIKeyAKEBEVONDQEVKC-UHFFFAOYSA-N
XLogP2.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid (CID 175721112) is 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(-c2c(F)cccc2F)nn1.
What is the InChIKey of 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid?
The InChIKey is AKEBEVONDQEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)10(6)8-4-5-9(11(16)17)15-14-8/h1-5H,(H,16,17).
What are the key properties of 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid?
6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 175721112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).