2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

C7H7FN2O3 — CID 106548422

IUPAC2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(C(F)C(=O)O)c(=O)c1
InChIInChI=1S/C7H7FN2O3/c1-4-2-5(11)10(9-3-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyKIPHVDTUWZJETC-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.10
Rot. Bonds2

About 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid

2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 106548422) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID106548422
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1cnn(C(F)C(=O)O)c(=O)c1
InChIInChI=1S/C7H7FN2O3/c1-4-2-5(11)10(9-3-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyKIPHVDTUWZJETC-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 1415536
2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 162727134
2-(4-Fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727173
2-(4-Fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728034
2-Fluoro-2-(6-oxopyridazin-1-yl)acetic acid
CID 81296780
Ethyl 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548439
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-(3-Chloro-4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 156400868
2-(4-Chloro-6-oxopyridazin-1-yl)acetic acid
CID 162727631
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 107427809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid (CID 106548422) is 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1cnn(C(F)C(=O)O)c(=O)c1.
What is the InChIKey of 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is KIPHVDTUWZJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4-2-5(11)10(9-3-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 186.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 106548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).