2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

C7H7FN2O3 — CID 81297484

IUPAC2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyUSOHKPAXHTXLSA-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.10
Rot. Bonds2

About 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 81297484) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID81297484
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyUSOHKPAXHTXLSA-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

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Related Compounds

(3-Methyl-6-oxopyridazin-1(6H)-yl)acetic acid
CID 3159587
2-(3-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid
CID 24252592
1-(2-Fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 114696025
2-[(1-Methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990612
2-Fluoro-2-(6-oxopyridazin-1-yl)acetic acid
CID 81296780
Ethyl 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetate
CID 81297609
2-[3-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]acetic acid
CID 86775700
methyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130862
2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetic acid
CID 92130863
2-[6-Oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]propanoic acid
CID 122239463
(2S)-2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]propanoic acid
CID 129531927
(2R)-2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]propanoic acid
CID 129531928

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid (CID 81297484) is 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1ccc(=O)n(C(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is USOHKPAXHTXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(3-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-(3-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 81297484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).