ethyl 3-aminopyridine-4-carboxylate

C8H10N2O2 — CID 2736365

IUPACethyl 3-aminopyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3
InChIKeyBIFLTHWDFNLOTD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds2

About ethyl 3-aminopyridine-4-carboxylate

ethyl 3-aminopyridine-4-carboxylate (PubChem CID 2736365) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 3-aminopyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminopyridine-4-carboxylate
PubChem CID2736365
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 3-aminopyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3
InChIKeyBIFLTHWDFNLOTD-UHFFFAOYSA-N
XLogP0.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminopyridine-4-carboxylate?
The IUPAC name of ethyl 3-aminopyridine-4-carboxylate (CID 2736365) is ethyl 3-aminopyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-aminopyridine-4-carboxylate?
The canonical SMILES for ethyl 3-aminopyridine-4-carboxylate is CCOC(=O)c1ccncc1N.
What is the InChIKey of ethyl 3-aminopyridine-4-carboxylate?
The InChIKey is BIFLTHWDFNLOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3.
What are the key properties of ethyl 3-aminopyridine-4-carboxylate?
ethyl 3-aminopyridine-4-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminopyridine-4-carboxylate is sourced from PubChem (CID 2736365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).