3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid

C15H9ClN2O2 — CID 82036502

IUPAC3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc3ccccc3c2)cnnc1Cl
InChIInChI=1S/C15H9ClN2O2/c16-14-13(15(19)20)12(8-17-18-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20)
InChIKeyZXDRURDPZYLWOC-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.65
Rot. Bonds2

About 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid

3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid (PubChem CID 82036502) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
PubChem CID82036502
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc3ccccc3c2)cnnc1Cl
InChIInChI=1S/C15H9ClN2O2/c16-14-13(15(19)20)12(8-17-18-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20)
InChIKeyZXDRURDPZYLWOC-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid (CID 82036502) is 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid is O=C(O)c1c(-c2ccc3ccccc3c2)cnnc1Cl.
What is the InChIKey of 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid?
The InChIKey is ZXDRURDPZYLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-14-13(15(19)20)12(8-17-18-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20).
What are the key properties of 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid?
3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid has a molecular weight of 284.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 82036502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).