6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid

C15H14N2O2 — CID 82381465

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2ccc3c(c2)CCC3)cc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-9-13(15(18)19)8-14(17-16-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyIYNNOICRGNYFNJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid

6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid (PubChem CID 82381465) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
PubChem CID82381465
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
SMILESCc1nnc(-c2ccc3c(c2)CCC3)cc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-9-13(15(18)19)8-14(17-16-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyIYNNOICRGNYFNJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid (CID 82381465) is 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid is Cc1nnc(-c2ccc3c(c2)CCC3)cc1C(=O)O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid?
The InChIKey is IYNNOICRGNYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-13(15(18)19)8-14(17-16-9)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid?
6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 82381465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).