potassium 6-methoxycarbonylpyridazine-3-carboxylate

C7H5KN2O4 — CID 167735182

IUPACpotassium 6-methoxycarbonylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)[O-])nn1.[K+]
InChIInChI=1S/C7H6N2O4.K/c1-13-7(12)5-3-2-4(6(10)11)8-9-5;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeySBTSATWBYQEXNO-UHFFFAOYSA-M
MW220.22 g/mol
LogP-4.37
Rot. Bonds2

About potassium 6-methoxycarbonylpyridazine-3-carboxylate

potassium 6-methoxycarbonylpyridazine-3-carboxylate (PubChem CID 167735182) has the molecular formula C7H5KN2O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is potassium 6-methoxycarbonylpyridazine-3-carboxylate.

Molecular Properties

Compound Namepotassium 6-methoxycarbonylpyridazine-3-carboxylate
PubChem CID167735182
Molecular FormulaC7H5KN2O4
Molecular Weight220.22 g/mol
Exact Mass219.99
IUPAC Namepotassium 6-methoxycarbonylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)[O-])nn1.[K+]
InChIInChI=1S/C7H6N2O4.K/c1-13-7(12)5-3-2-4(6(10)11)8-9-5;/h2-3H,1H3,(H,10,11);/q;+1/p-1
InChIKeySBTSATWBYQEXNO-UHFFFAOYSA-M
XLogP-4.37
TPSA92.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-4.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 6-chloropyridazine-3-carboxylate
CID 10352425
Methyl 6-chloropyridazine-3-carboxylate
CID 12379801
Methyl 6-aminopyridazine-3-carboxylate
CID 14536428
Methyl pyridazine-3-carboxylate
CID 13011730
3,6-Pyridazinedicarboxylic acid
CID 300317
Ethyl 6-cyclopropyl-5-fluoropyridazine-3-carboxylate
CID 145913460
Methyl 6-bromopyridazine-3-carboxylate
CID 12379802
Methyl 6-fluoropyridazine-3-carboxylate
CID 12379810
6-Methylpyridazine-3-carboxylic acid
CID 13555893
Methyl 4,6-dichloropyridazine-3-carboxylate
CID 17848322
Ethyl 6-aminopyridazine-3-carboxylate
CID 25067380
Ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate
CID 52987966

Frequently Asked Questions

What is the IUPAC name of potassium 6-methoxycarbonylpyridazine-3-carboxylate?
The IUPAC name of potassium 6-methoxycarbonylpyridazine-3-carboxylate (CID 167735182) is potassium 6-methoxycarbonylpyridazine-3-carboxylate.
What is the SMILES notation for potassium 6-methoxycarbonylpyridazine-3-carboxylate?
The canonical SMILES for potassium 6-methoxycarbonylpyridazine-3-carboxylate is COC(=O)c1ccc(C(=O)[O-])nn1.[K+].
What is the InChIKey of potassium 6-methoxycarbonylpyridazine-3-carboxylate?
The InChIKey is SBTSATWBYQEXNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O4.K/c1-13-7(12)5-3-2-4(6(10)11)8-9-5;/h2-3H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 6-methoxycarbonylpyridazine-3-carboxylate?
potassium 6-methoxycarbonylpyridazine-3-carboxylate has a molecular weight of 220.22 g/mol, XLogP of -4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-methoxycarbonylpyridazine-3-carboxylate is sourced from PubChem (CID 167735182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).