ethyl 4-aminopyridine-3-carboxylate

C8H10N2O2 — CID 15656133

IUPACethyl 4-aminopyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
InChIKeyYTLWFCDPORJXPP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds2

About ethyl 4-aminopyridine-3-carboxylate

ethyl 4-aminopyridine-3-carboxylate (PubChem CID 15656133) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 4-aminopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-aminopyridine-3-carboxylate
PubChem CID15656133
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 4-aminopyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
InChIKeyYTLWFCDPORJXPP-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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Related Compounds

CID 5570
CID 5570
CID 7151
CID 7151
CID 69188
CID 69188
CID 7191
CID 7191
CID 14866
CID 14866
CID 71650
CID 71650
CID 937
CID 937
CID 90202
CID 90202
CID 68379
CID 68379
CID 81353
CID 81353
CID 1488824
CID 1488824
CID 737487
CID 737487

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminopyridine-3-carboxylate?
The IUPAC name of ethyl 4-aminopyridine-3-carboxylate (CID 15656133) is ethyl 4-aminopyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-aminopyridine-3-carboxylate?
The canonical SMILES for ethyl 4-aminopyridine-3-carboxylate is CCOC(=O)c1cnccc1N.
What is the InChIKey of ethyl 4-aminopyridine-3-carboxylate?
The InChIKey is YTLWFCDPORJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3,(H2,9,10).
What are the key properties of ethyl 4-aminopyridine-3-carboxylate?
ethyl 4-aminopyridine-3-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 4-aminopyridine-3-carboxylate is sourced from PubChem (CID 15656133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).