2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid

C16H12N2O3 — CID 82036569

IUPAC2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
SMILESCn1ncc(-c2ccc3ccccc3c2)c(C(=O)O)c1=O
InChIInChI=1S/C16H12N2O3/c1-18-15(19)14(16(20)21)13(9-17-18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,20,21)
InChIKeyHNNIFBBMTINENV-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid

2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid (PubChem CID 82036569) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
PubChem CID82036569
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid
SMILESCn1ncc(-c2ccc3ccccc3c2)c(C(=O)O)c1=O
InChIInChI=1S/C16H12N2O3/c1-18-15(19)14(16(20)21)13(9-17-18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,20,21)
InChIKeyHNNIFBBMTINENV-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid (CID 82036569) is 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid is Cn1ncc(-c2ccc3ccccc3c2)c(C(=O)O)c1=O.
What is the InChIKey of 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is HNNIFBBMTINENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18-15(19)14(16(20)21)13(9-17-18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,20,21).
What are the key properties of 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid?
2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-2-yl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 82036569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).