8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid

C15H11F2N3O3 — CID 67232606

IUPAC8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESCN1NC=c2cc(C(=O)O)c(=O)[nH]c2=C1c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O3/c1-20-13(9-3-2-8(16)5-11(9)17)12-7(6-18-20)4-10(15(22)23)14(21)19-12/h2-6,18H,1H3,(H,19,21)(H,22,23)
InChIKeyMKXTYXOUGCKNPD-UHFFFAOYSA-N
MW319.27 g/mol
LogP-0.30
Rot. Bonds2

About 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid

8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid (PubChem CID 67232606) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
PubChem CID67232606
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESCN1NC=c2cc(C(=O)O)c(=O)[nH]c2=C1c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O3/c1-20-13(9-3-2-8(16)5-11(9)17)12-7(6-18-20)4-10(15(22)23)14(21)19-12/h2-6,18H,1H3,(H,19,21)(H,22,23)
InChIKeyMKXTYXOUGCKNPD-UHFFFAOYSA-N
XLogP-0.30
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The IUPAC name of 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid (CID 67232606) is 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid.
What is the SMILES notation for 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The canonical SMILES for 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid is CN1NC=c2cc(C(=O)O)c(=O)[nH]c2=C1c1ccc(F)cc1F.
What is the InChIKey of 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The InChIKey is MKXTYXOUGCKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c1-20-13(9-3-2-8(16)5-11(9)17)12-7(6-18-20)4-10(15(22)23)14(21)19-12/h2-6,18H,1H3,(H,19,21)(H,22,23).
What are the key properties of 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid has a molecular weight of 319.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-7-methyl-2-oxo-1,6-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid is sourced from PubChem (CID 67232606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).