ethyl 3-aminopyridine-2-carboxylate

C8H10N2O2 — CID 565054

IUPACethyl 3-aminopyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2,9H2,1H3
InChIKeyFKDRDUIRSZRBSN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds2

About ethyl 3-aminopyridine-2-carboxylate

ethyl 3-aminopyridine-2-carboxylate (PubChem CID 565054) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminopyridine-2-carboxylate
PubChem CID565054
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 3-aminopyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1N
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2,9H2,1H3
InChIKeyFKDRDUIRSZRBSN-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

ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of ethyl 3-aminopyridine-2-carboxylate (CID 565054) is ethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for ethyl 3-aminopyridine-2-carboxylate is CCOC(=O)c1ncccc1N.
What is the InChIKey of ethyl 3-aminopyridine-2-carboxylate?
The InChIKey is FKDRDUIRSZRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2,9H2,1H3.
What are the key properties of ethyl 3-aminopyridine-2-carboxylate?
ethyl 3-aminopyridine-2-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-2-carboxylate is sourced from PubChem (CID 565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).