3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid

C15H9ClN2O3 — CID 80515552

IUPAC3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-12-5-6-13(10-4-2-1-3-9(10)12)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20)
InChIKeySWOKSMNAKKDTRG-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.77
Rot. Bonds3

About 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid

3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid (PubChem CID 80515552) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
PubChem CID80515552
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-12-5-6-13(10-4-2-1-3-9(10)12)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20)
InChIKeySWOKSMNAKKDTRG-UHFFFAOYSA-N
XLogP3.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
CID 80517004
3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
3-(5-chloroquinolin-8-yl)oxypyridazine-4-carbothioamide
CID 80511484
3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
CID 80517381
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid (CID 80515552) is 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid is O=C(O)c1ccnnc1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid?
The InChIKey is SWOKSMNAKKDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-5-6-13(10-4-2-1-3-9(10)12)21-14-11(15(19)20)7-8-17-18-14/h1-8H,(H,19,20).
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid?
3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid is sourced from PubChem (CID 80515552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).