ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate

C8H10ClN3O2 — CID 77231539

IUPACethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1NC
InChIInChI=1S/C8H10ClN3O2/c1-3-14-8(13)5-4-6(9)11-12-7(5)10-2/h4H,3H2,1-2H3,(H,10,12)
InChIKeyXRGPWIGHIQBRJX-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.35
Rot. Bonds3

About ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate

ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate (PubChem CID 77231539) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
PubChem CID77231539
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Nameethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1NC
InChIInChI=1S/C8H10ClN3O2/c1-3-14-8(13)5-4-6(9)11-12-7(5)10-2/h4H,3H2,1-2H3,(H,10,12)
InChIKeyXRGPWIGHIQBRJX-UHFFFAOYSA-N
XLogP1.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100436
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 4-chloro-6-methyl-2-(methylamino)pyridine-3-carboxylate
CID 66930070
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 5-amino-2-bromo-4-(methylamino)benzoate
CID 156537860
ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate
CID 10870395
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 3-chloro-2-(methylamino)benzoate
CID 23093512

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate (CID 77231539) is ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate is CCOC(=O)c1cc(Cl)nnc1NC.
What is the InChIKey of ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate?
The InChIKey is XRGPWIGHIQBRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-3-14-8(13)5-4-6(9)11-12-7(5)10-2/h4H,3H2,1-2H3,(H,10,12).
What are the key properties of ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate?
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate is sourced from PubChem (CID 77231539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).