ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate

C8H11NO3 — CID 19041132

IUPACethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1NC=CC=C1O
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)7-6(10)4-3-5-9-7/h3-5,7,9-10H,2H2,1H3
InChIKeyBJIBTSDCXYMEHN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds2

About ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate

ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate (PubChem CID 19041132) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate
PubChem CID19041132
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1NC=CC=C1O
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)7-6(10)4-3-5-9-7/h3-5,7,9-10H,2H2,1H3
InChIKeyBJIBTSDCXYMEHN-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methyl-1,2-dihydropyridine-2-carboxylate
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ethyl 3-methylidenepyrrolidine-2-carboxylate
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ethyl 3,5-dihydroxy-4-oxocyclohexa-2,5-diene-1-carboxylate
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cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
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ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 13406909
ethyl 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-7-carboxylate
CID 70156183
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate (CID 19041132) is ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate is CCOC(=O)C1NC=CC=C1O.
What is the InChIKey of ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate?
The InChIKey is BJIBTSDCXYMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-8(11)7-6(10)4-3-5-9-7/h3-5,7,9-10H,2H2,1H3.
What are the key properties of ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate?
ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-1,2-dihydropyridine-2-carboxylate is sourced from PubChem (CID 19041132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).