3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid

C12H9ClN2O3 — CID 80517004

IUPAC3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1ccc(Oc2nnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-3-10(9(13)6-7)18-11-8(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyDLPYFVYBRYUVJW-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.93
Rot. Bonds3

About 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid

3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid (PubChem CID 80517004) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
PubChem CID80517004
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid
SMILESCc1ccc(Oc2nnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-3-10(9(13)6-7)18-11-8(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17)
InChIKeyDLPYFVYBRYUVJW-UHFFFAOYSA-N
XLogP2.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-5-methylphenoxy)pyridazine-4-carboxylic acid
CID 80516980
3-(4-chloronaphthalen-1-yl)oxypyridazine-4-carboxylic acid
CID 80515552
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
3-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridazine-4-carboxylic acid
CID 107744881
3-(2-iodophenoxy)pyridazine-4-carboxylic acid
CID 80517144
5-amino-3-chloro-2-(2-chloro-4-methylphenoxy)benzoic acid
CID 107197838
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
3-(4-bromo-2-chlorophenoxy)pyridazine-4-carboximidamide
CID 80514235

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid (CID 80517004) is 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid is Cc1ccc(Oc2nnccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid?
The InChIKey is DLPYFVYBRYUVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-7-2-3-10(9(13)6-7)18-11-8(12(16)17)4-5-14-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid?
3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).