3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid

C9H4Cl2N2O3 — CID 117127488

IUPAC3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Cl)o2)cnnc1Cl
InChIInChI=1S/C9H4Cl2N2O3/c10-6-2-1-5(16-6)4-3-12-13-8(11)7(4)9(14)15/h1-3H,(H,14,15)
InChIKeyJZLNPXOFFZOQBR-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid

3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid (PubChem CID 117127488) has the molecular formula C9H4Cl2N2O3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid
PubChem CID117127488
Molecular FormulaC9H4Cl2N2O3
Molecular Weight259.05 g/mol
Exact Mass257.96
IUPAC Name3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Cl)o2)cnnc1Cl
InChIInChI=1S/C9H4Cl2N2O3/c10-6-2-1-5(16-6)4-3-12-13-8(11)7(4)9(14)15/h1-3H,(H,14,15)
InChIKeyJZLNPXOFFZOQBR-UHFFFAOYSA-N
XLogP2.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
CID 117127494
3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
CID 82036502
3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
CID 117127520
5-(5-chlorofuran-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 106689515
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250442
3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142717
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one
CID 117127372
5-phenylpyridazine-3,4-dicarboxylic acid
CID 121011282
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
2-methyl-5-(5-methylfuran-2-yl)-3-oxopyridazine-4-carboxylic acid
CID 117127666

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid (CID 117127488) is 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid is O=C(O)c1c(-c2ccc(Cl)o2)cnnc1Cl.
What is the InChIKey of 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid?
The InChIKey is JZLNPXOFFZOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O3/c10-6-2-1-5(16-6)4-3-12-13-8(11)7(4)9(14)15/h1-3H,(H,14,15).
What are the key properties of 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid?
3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid has a molecular weight of 259.05 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).