7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid

C7H5N3O2 — CID 82415210

IUPAC7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2ccnnc2[nH]1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-3-4-1-2-8-10-6(4)9-5/h1-3H,(H,9,10)(H,11,12)
InChIKeyILPZKYLBBFMCCV-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.66
Rot. Bonds1

About 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid

7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid (PubChem CID 82415210) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
PubChem CID82415210
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
SMILESO=C(O)c1cc2ccnnc2[nH]1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-3-4-1-2-8-10-6(4)9-5/h1-3H,(H,9,10)(H,11,12)
InChIKeyILPZKYLBBFMCCV-UHFFFAOYSA-N
XLogP0.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
2-(Ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 44571955
7H-Pyrrolo(2,3-d)pyrimidine-6-carboxylic acid
CID 45790058
5-(trifluoromethyl)-1H-pyrrolo(2,3-b)pyridine-2-carboxylic acid
CID 54758843
1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 67251082
US11459296, Example 47
CID 157605777
5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25248734
1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140174
1-Methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140175
1H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid
CID 24728889
5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 44630705
5-Bromo-1H-pyrrolo(2,3-b)pyridine-2-carboxylic acid
CID 50990519

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid?
The IUPAC name of 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid (CID 82415210) is 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid.
What is the SMILES notation for 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid?
The canonical SMILES for 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid is O=C(O)c1cc2ccnnc2[nH]1.
What is the InChIKey of 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid?
The InChIKey is ILPZKYLBBFMCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7(12)5-3-4-1-2-8-10-6(4)9-5/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid?
7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid is sourced from PubChem (CID 82415210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).