3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid

C12H11N3O2 — CID 116833952

IUPAC3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)CC(c1cccnc1)c1cccnn1
InChIInChI=1S/C12H11N3O2/c16-12(17)7-10(9-3-1-5-13-8-9)11-4-2-6-14-15-11/h1-6,8,10H,7H2,(H,16,17)
InChIKeyCKBZSZLSWOKTJX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.48
Rot. Bonds4

About 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid

3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid (PubChem CID 116833952) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
PubChem CID116833952
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)CC(c1cccnc1)c1cccnn1
InChIInChI=1S/C12H11N3O2/c16-12(17)7-10(9-3-1-5-13-8-9)11-4-2-6-14-15-11/h1-6,8,10H,7H2,(H,16,17)
InChIKeyCKBZSZLSWOKTJX-UHFFFAOYSA-N
XLogP1.48
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2,2-dipyridin-3-ylethanol
CID 57450821
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
CID 173328549
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
4-pyridin-3-yl-4-pyridin-4-ylbutanamide
CID 174955262
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid (CID 116833952) is 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid is O=C(O)CC(c1cccnc1)c1cccnn1.
What is the InChIKey of 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid?
The InChIKey is CKBZSZLSWOKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)7-10(9-3-1-5-13-8-9)11-4-2-6-14-15-11/h1-6,8,10H,7H2,(H,16,17).
What are the key properties of 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid?
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid has a molecular weight of 229.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 116833952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).