6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid

C12H10ClN3O3 — CID 117102945

IUPAC6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nnc(Nc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-19-11-9(12(17)18)6-10(15-16-11)14-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,15)(H,17,18)
InChIKeyMYGYKTDQBDQFOD-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.58
Rot. Bonds4

About 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid

6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid (PubChem CID 117102945) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
PubChem CID117102945
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid
SMILESCOc1nnc(Nc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-19-11-9(12(17)18)6-10(15-16-11)14-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,15)(H,17,18)
InChIKeyMYGYKTDQBDQFOD-UHFFFAOYSA-N
XLogP2.58
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-(4-methylanilino)pyridazine-4-carboxylic acid
CID 117102953
6-(4-bromoanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102947
3-amino-6-(4-chloroanilino)pyridazine-4-carboxylic acid
CID 117103121
3-methoxy-6-(2-methylanilino)pyridazine-4-carboxylic acid
CID 117102977
6-(ethylamino)-3-methoxypyridazine-4-carboxylic acid
CID 117102906
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
CID 117103127
methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
CID 113050861
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid?
The IUPAC name of 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid (CID 117102945) is 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid is COc1nnc(Nc2ccc(Cl)cc2)cc1C(=O)O.
What is the InChIKey of 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid?
The InChIKey is MYGYKTDQBDQFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-19-11-9(12(17)18)6-10(15-16-11)14-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,15)(H,17,18).
What are the key properties of 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid?
6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-3-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 117102945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).