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

C12H9ClFN3O2 — CID 141408410

IUPAC5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1c(Cl)cnnc1C(=O)O
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-9(6)16-10-8(13)5-15-17-11(10)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyMKMXDKSPPFWKGS-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid

5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid (PubChem CID 141408410) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
PubChem CID141408410
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(F)ccc1Nc1c(Cl)cnnc1C(=O)O
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-9(6)16-10-8(13)5-15-17-11(10)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19)
InChIKeyMKMXDKSPPFWKGS-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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Related Compounds

6-Chloro-4-(4-fluoro-2-methylphenylamino)pyridazine-3-carboxylic acid
CID 118412731
Ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 129276811
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 151578022
4-[[2-(2,4,6-Trifluorophenyl)acetyl]amino]pyridazine-3-carboxylic acid
CID 153787781
4-(4-Fluoroanilino)pyridazine-3-carboxylic acid
CID 155250939
Methyl 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 156465464
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 162446656
6-Chloro-4-[3-fluoro-2-methyl-4-(oxan-4-yl)anilino]pyridazine-3-carboxylic acid
CID 175721024
4-[(2-Chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624725
4-[(2-Chloro-6-fluorophenyl)methylamino]-1-ethylpyrazole-5-carboxylic acid
CID 19624758
4-[(2-Chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid
CID 19624791
4-[(2-Chloro-6-fluorophenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
CID 19624824

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid (CID 141408410) is 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid is Cc1cc(F)ccc1Nc1c(Cl)cnnc1C(=O)O.
What is the InChIKey of 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
The InChIKey is MKMXDKSPPFWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-4-7(14)2-3-9(6)16-10-8(13)5-15-17-11(10)12(18)19/h2-5H,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid?
5-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 5-chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 141408410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).