6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid

C12H9ClFN3O2 — CID 118412731

IUPAC6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cc(Cl)nnc1C(=O)O
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-8(6)15-9-5-10(13)16-17-11(9)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyMAALSHXESVOGPA-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.02
Rot. Bonds3

About 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid

6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid (PubChem CID 118412731) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
PubChem CID118412731
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cc(Cl)nnc1C(=O)O
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-8(6)15-9-5-10(13)16-17-11(9)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyMAALSHXESVOGPA-UHFFFAOYSA-N
XLogP3.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid (CID 118412731) is 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid is Cc1cc(F)ccc1Nc1cc(Cl)nnc1C(=O)O.
What is the InChIKey of 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The InChIKey is MAALSHXESVOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-8(6)15-9-5-10(13)16-17-11(9)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19).
What are the key properties of 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 118412731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).