2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid

C9H8N2O2 — CID 141230735

IUPAC2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid
SMILESO=C(O)Cc1cc2cccnn2c1
InChIInChI=1S/C9H8N2O2/c12-9(13)5-7-4-8-2-1-3-10-11(8)6-7/h1-4,6H,5H2,(H,12,13)
InChIKeyLANFKEMGJPJJQC-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.96
Rot. Bonds2

About 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid

2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid (PubChem CID 141230735) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid.

Molecular Properties

Compound Name2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid
PubChem CID141230735
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid
SMILESO=C(O)Cc1cc2cccnn2c1
InChIInChI=1S/C9H8N2O2/c12-9(13)5-7-4-8-2-1-3-10-11(8)6-7/h1-4,6H,5H2,(H,12,13)
InChIKeyLANFKEMGJPJJQC-UHFFFAOYSA-N
XLogP0.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
CID 82382049
2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
CID 155917758
2-imidazo[1,5-a]pyridin-7-ylacetic acid
CID 83827565
CID 66868100
CID 66868100
2-(6-methylpyrazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83829453
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
2-(3-chloroimidazo[1,5-a]pyridin-7-yl)acetic acid
CID 83834904
tris(2-phenylacetic acid);rhodium
CID 11168112
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
2-quinolin-7-ylacetic acid
CID 18675903

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid?
The IUPAC name of 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid (CID 141230735) is 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid.
What is the SMILES notation for 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid?
The canonical SMILES for 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid is O=C(O)Cc1cc2cccnn2c1.
What is the InChIKey of 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid?
The InChIKey is LANFKEMGJPJJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)5-7-4-8-2-1-3-10-11(8)6-7/h1-4,6H,5H2,(H,12,13).
What are the key properties of 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid?
2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid has a molecular weight of 176.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid is sourced from PubChem (CID 141230735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).