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

C7H6F2N2O3 — CID 118647023

IUPAC2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid
SMILESCn1nc(C(F)(F)C(=O)O)ccc1=O
InChIInChI=1S/C7H6F2N2O3/c1-11-5(12)3-2-4(10-11)7(8,9)6(13)14/h2-3H,1H3,(H,13,14)
InChIKeyDBQGLYQGJPBGGY-UHFFFAOYSA-N
MW204.13 g/mol
LogP-0.04
Rot. Bonds2

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

2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid (PubChem CID 118647023) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid
PubChem CID118647023
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid
SMILESCn1nc(C(F)(F)C(=O)O)ccc1=O
InChIInChI=1S/C7H6F2N2O3/c1-11-5(12)3-2-4(10-11)7(8,9)6(13)14/h2-3H,1H3,(H,13,14)
InChIKeyDBQGLYQGJPBGGY-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid (CID 118647023) is 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid is Cn1nc(C(F)(F)C(=O)O)ccc1=O.
What is the InChIKey of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid?
The InChIKey is DBQGLYQGJPBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-11-5(12)3-2-4(10-11)7(8,9)6(13)14/h2-3H,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid?
2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid has a molecular weight of 204.13 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetic acid is sourced from PubChem (CID 118647023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).