methyl 3-(ethenylamino)pyridine-4-carboxylate

C9H10N2O2 — CID 144656396

IUPACmethyl 3-(ethenylamino)pyridine-4-carboxylate
SMILESC=CNc1cnccc1C(=O)OC
InChIInChI=1S/C9H10N2O2/c1-3-11-8-6-10-5-4-7(8)9(12)13-2/h3-6,11H,1H2,2H3
InChIKeyGALWRCJIKDSOGQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.42
Rot. Bonds3

About methyl 3-(ethenylamino)pyridine-4-carboxylate

methyl 3-(ethenylamino)pyridine-4-carboxylate (PubChem CID 144656396) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 3-(ethenylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(ethenylamino)pyridine-4-carboxylate
PubChem CID144656396
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl 3-(ethenylamino)pyridine-4-carboxylate
SMILESC=CNc1cnccc1C(=O)OC
InChIInChI=1S/C9H10N2O2/c1-3-11-8-6-10-5-4-7(8)9(12)13-2/h3-6,11H,1H2,2H3
InChIKeyGALWRCJIKDSOGQ-UHFFFAOYSA-N
XLogP1.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethenylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 3-(ethenylamino)pyridine-4-carboxylate (CID 144656396) is methyl 3-(ethenylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(ethenylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(ethenylamino)pyridine-4-carboxylate is C=CNc1cnccc1C(=O)OC.
What is the InChIKey of methyl 3-(ethenylamino)pyridine-4-carboxylate?
The InChIKey is GALWRCJIKDSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-11-8-6-10-5-4-7(8)9(12)13-2/h3-6,11H,1H2,2H3.
What are the key properties of methyl 3-(ethenylamino)pyridine-4-carboxylate?
methyl 3-(ethenylamino)pyridine-4-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethenylamino)pyridine-4-carboxylate is sourced from PubChem (CID 144656396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).