2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid

C13H12FN3O2 — CID 116971455

IUPAC2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccc(F)c2)nn1)C(=O)O
InChIInChI=1S/C13H12FN3O2/c1-8(13(18)19)15-12-6-5-11(16-17-12)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeySFOWRVFJEMRWFN-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.17
Rot. Bonds4

About 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid

2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid (PubChem CID 116971455) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
PubChem CID116971455
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccc(F)c2)nn1)C(=O)O
InChIInChI=1S/C13H12FN3O2/c1-8(13(18)19)15-12-6-5-11(16-17-12)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,17)(H,18,19)
InChIKeySFOWRVFJEMRWFN-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The IUPAC name of 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid (CID 116971455) is 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The canonical SMILES for 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid is CC(Nc1ccc(-c2cccc(F)c2)nn1)C(=O)O.
What is the InChIKey of 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The InChIKey is SFOWRVFJEMRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8(13(18)19)15-12-6-5-11(16-17-12)9-3-2-4-10(14)7-9/h2-8H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid has a molecular weight of 261.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid is sourced from PubChem (CID 116971455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).