6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid

C14H12N2O3 — CID 60791786

IUPAC6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C14H12N2O3/c17-14(18)12-6-7-13(16-15-12)19-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H,17,18)
InChIKeyJGKMPMUYLNMRHM-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.46
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid

6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid (PubChem CID 60791786) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
PubChem CID60791786
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C14H12N2O3/c17-14(18)12-6-7-13(16-15-12)19-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H,17,18)
InChIKeyJGKMPMUYLNMRHM-UHFFFAOYSA-N
XLogP2.46
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034
[6-(2,3-dihydro-1H-inden-5-yloxy)pyridazin-3-yl]methanamine
CID 62322559
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2-carboxylic acid
CID 10246518
methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
CID 66455917
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
CID 28825096
4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
CID 103241277
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
5-[[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyrazine-2-carboxylic acid
CID 57453920
[6-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanamine
CID 28824727
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid (CID 60791786) is 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid?
The InChIKey is JGKMPMUYLNMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(18)12-6-7-13(16-15-12)19-11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H,17,18).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid?
6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yloxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).