5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid

C12H9ClN2O3 — CID 117127342

IUPAC5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nncc(-c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c1-18-11-10(12(16)17)8(6-14-15-11)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,16,17)
InChIKeyKSZATYKUUNMERQ-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.50
Rot. Bonds3

About 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid

5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid (PubChem CID 117127342) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid
PubChem CID117127342
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nncc(-c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c1-18-11-10(12(16)17)8(6-14-15-11)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,16,17)
InChIKeyKSZATYKUUNMERQ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid (CID 117127342) is 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid is COc1nncc(-c2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid?
The InChIKey is KSZATYKUUNMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-18-11-10(12(16)17)8(6-14-15-11)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,16,17).
What are the key properties of 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid?
5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117127342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).