ethyl 6-chloropyridazine-3-carboxylate

C7H7ClN2O2 — CID 10352425

IUPACethyl 6-chloropyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3
InChIKeyGVSVPKDEHFOXSW-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.31
Rot. Bonds2

About ethyl 6-chloropyridazine-3-carboxylate

ethyl 6-chloropyridazine-3-carboxylate (PubChem CID 10352425) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is ethyl 6-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloropyridazine-3-carboxylate
PubChem CID10352425
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Nameethyl 6-chloropyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3
InChIKeyGVSVPKDEHFOXSW-UHFFFAOYSA-N
XLogP1.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloropyridazine-3-carboxylic Acid
CID 6415762
Methyl 6-chloropyridazine-3-carboxylate
CID 12379801
Ethyl 4,6-dichloropyridazine-3-carboxylate
CID 53428795
Lithium 4,6-Dichloropyridazine-3-carboxylate
CID 154640671
Methyl pyridazine-3-carboxylate
CID 13011730
Methyl 6-bromopyridazine-3-carboxylate
CID 12379802
Methyl 6-fluoropyridazine-3-carboxylate
CID 12379810
Methyl 4,6-dichloropyridazine-3-carboxylate
CID 17848322
Ethyl 6-aminopyridazine-3-carboxylate
CID 25067380
Ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate
CID 52987966
6-Chloro-5-methylpyridazine-3-carboxylic acid
CID 83635815
Methyl 6-ethenylpyridazine-3-carboxylate
CID 89183249

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloropyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloropyridazine-3-carboxylate (CID 10352425) is ethyl 6-chloropyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloropyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloropyridazine-3-carboxylate is CCOC(=O)c1ccc(Cl)nn1.
What is the InChIKey of ethyl 6-chloropyridazine-3-carboxylate?
The InChIKey is GVSVPKDEHFOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 6-chloropyridazine-3-carboxylate?
ethyl 6-chloropyridazine-3-carboxylate has a molecular weight of 186.60 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloropyridazine-3-carboxylate is sourced from PubChem (CID 10352425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).