ethyl 5-methylpyridazine-3-carboxylate

C8H10N2O2 — CID 150390069

IUPACethyl 5-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnn1
InChIInChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-6(2)5-9-10-7/h4-5H,3H2,1-2H3
InChIKeyHBNBWYHRJGTYOY-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds2

About ethyl 5-methylpyridazine-3-carboxylate

ethyl 5-methylpyridazine-3-carboxylate (PubChem CID 150390069) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 5-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylpyridazine-3-carboxylate
PubChem CID150390069
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 5-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnn1
InChIInChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-6(2)5-9-10-7/h4-5H,3H2,1-2H3
InChIKeyHBNBWYHRJGTYOY-UHFFFAOYSA-N
XLogP0.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
5-methylpyridazine-3-carboxamide
CID 68633720
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
diethyl 2-(5-methylpyridazin-3-yl)propanedioate
CID 106550854
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
CID 83617735
diethyl 3-iodopyridazine-4,5-dicarboxylate
CID 11405390
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
hexaethyl 2,7,12,17,22,27-hexaoxa-4,5,14,15,24,25,33,34,37,38,41,42-dodecazaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3,5,8(40),9,11(39),13,15,18,20,23(34),24,26(33),28,31,35,37,41-octadecaene-9,19,29,31,35,39-hexacarboxylate
CID 131636579
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylpyridazine-3-carboxylate?
The IUPAC name of ethyl 5-methylpyridazine-3-carboxylate (CID 150390069) is ethyl 5-methylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-methylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-methylpyridazine-3-carboxylate is CCOC(=O)c1cc(C)cnn1.
What is the InChIKey of ethyl 5-methylpyridazine-3-carboxylate?
The InChIKey is HBNBWYHRJGTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-6(2)5-9-10-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methylpyridazine-3-carboxylate?
ethyl 5-methylpyridazine-3-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylpyridazine-3-carboxylate is sourced from PubChem (CID 150390069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).