3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid

C15H9BrN2O3 — CID 80515853

IUPAC3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H9BrN2O3/c16-13-10-4-2-1-3-9(10)5-6-12(13)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20)
InChIKeyZKCNGUBGISNULI-UHFFFAOYSA-N
MW345.15 g/mol
LogP3.88
Rot. Bonds3

About 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid

3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid (PubChem CID 80515853) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
PubChem CID80515853
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H9BrN2O3/c16-13-10-4-2-1-3-9(10)5-6-12(13)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20)
InChIKeyZKCNGUBGISNULI-UHFFFAOYSA-N
XLogP3.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
CID 80515552
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid (CID 80515853) is 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid is O=C(O)c1ccnnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid?
The InChIKey is ZKCNGUBGISNULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-13-10-4-2-1-3-9(10)5-6-12(13)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20).
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid?
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid has a molecular weight of 345.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid is sourced from PubChem (CID 80515853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).