ethane;ethyl 3-aminopyridine-2-carboxylate

C10H16N2O2 — CID 143635646

IUPACethane;ethyl 3-aminopyridine-2-carboxylate
SMILESCC.CCOC(=O)c1ncccc1N
InChIInChI=1S/C8H10N2O2.C2H6/c1-2-12-8(11)7-6(9)4-3-5-10-7;1-2/h3-5H,2,9H2,1H3;1-2H3
InChIKeyXUPOKLFFQZDDST-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds2

About ethane;ethyl 3-aminopyridine-2-carboxylate

ethane;ethyl 3-aminopyridine-2-carboxylate (PubChem CID 143635646) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;ethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-aminopyridine-2-carboxylate
PubChem CID143635646
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethane;ethyl 3-aminopyridine-2-carboxylate
SMILESCC.CCOC(=O)c1ncccc1N
InChIInChI=1S/C8H10N2O2.C2H6/c1-2-12-8(11)7-6(9)4-3-5-10-7;1-2/h3-5H,2,9H2,1H3;1-2H3
InChIKeyXUPOKLFFQZDDST-UHFFFAOYSA-N
XLogP1.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-aminopyridine-2-carboxylate
CID 565054
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
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 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 3-aminopyridine-2-carboxylate (CID 143635646) is ethane;ethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 3-aminopyridine-2-carboxylate is CC.CCOC(=O)c1ncccc1N.
What is the InChIKey of ethane;ethyl 3-aminopyridine-2-carboxylate?
The InChIKey is XUPOKLFFQZDDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6/c1-2-12-8(11)7-6(9)4-3-5-10-7;1-2/h3-5H,2,9H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 3-aminopyridine-2-carboxylate?
ethane;ethyl 3-aminopyridine-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 143635646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).