6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid

C14H11N3O2 — CID 82382127

IUPAC6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2cccc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/C14H11N3O2/c1-8-11(14(18)19)7-13(17-16-8)9-3-2-4-12-10(9)5-6-15-12/h2-7,15H,1H3,(H,18,19)
InChIKeyKIRJUMWXDXZMKP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

About 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid

6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid (PubChem CID 82382127) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
PubChem CID82382127
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2cccc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/C14H11N3O2/c1-8-11(14(18)19)7-13(17-16-8)9-3-2-4-12-10(9)5-6-15-12/h2-7,15H,1H3,(H,18,19)
InChIKeyKIRJUMWXDXZMKP-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid?
The IUPAC name of 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid (CID 82382127) is 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid is Cc1nnc(-c2cccc3[nH]ccc23)cc1C(=O)O.
What is the InChIKey of 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid?
The InChIKey is KIRJUMWXDXZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-11(14(18)19)7-13(17-16-8)9-3-2-4-12-10(9)5-6-15-12/h2-7,15H,1H3,(H,18,19).
What are the key properties of 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid?
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 82382127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).