3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid

C11H9ClN4O2 — CID 117103127

IUPAC3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
SMILESNc1nnc(Nc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)14-9-5-8(11(17)18)10(13)16-15-9/h1-5H,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyWLCYQRAOWMLDOY-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid

3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid (PubChem CID 117103127) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
PubChem CID117103127
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
SMILESNc1nnc(Nc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)14-9-5-8(11(17)18)10(13)16-15-9/h1-5H,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyWLCYQRAOWMLDOY-UHFFFAOYSA-N
XLogP2.15
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(4-chloroanilino)pyridazine-4-carboxylic acid
CID 117103121
6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine
CID 1493816
N-(3-chlorophenyl)-6-hydrazinylpyridazin-3-amine
CID 59363292
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
3-N-(3-chlorophenyl)-1,2,4-triazine-3,5,6-triamine
CID 1492761
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
CID 118412418
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid (CID 117103127) is 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid is Nc1nnc(Nc2cccc(Cl)c2)cc1C(=O)O.
What is the InChIKey of 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid?
The InChIKey is WLCYQRAOWMLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)14-9-5-8(11(17)18)10(13)16-15-9/h1-5H,(H2,13,16)(H,14,15)(H,17,18).
What are the key properties of 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid?
3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117103127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).