ethyl 1,2-dihydropyridine-4-carboxylate

C8H11NO2 — CID 6396302

IUPACethyl 1,2-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=CCNC=C1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-5,9H,2,6H2,1H3
InChIKeyODYAOTZZYGIGMZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds2

About ethyl 1,2-dihydropyridine-4-carboxylate

ethyl 1,2-dihydropyridine-4-carboxylate (PubChem CID 6396302) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 1,2-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydropyridine-4-carboxylate
PubChem CID6396302
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 1,2-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=CCNC=C1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-5,9H,2,6H2,1H3
InChIKeyODYAOTZZYGIGMZ-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 6-hydroxynicotinate
CID 295861
(Z)-methyl 3,6-dimethyl-2-(pyridin-2(1H)-ylidene)-2H-pyran-5-carboxylate
CID 2844829
Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate
CID 280755
4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, 1-methylethyl ester
CID 71757680
Methyl 2-hydroxypyridine-4-carboxylate hydrochloride
CID 138991491
Methyl 1,2-dihydro-1-methyl-4-pyridinecarboxylate
CID 45090140
1-Ethyl-4-carbethoxy-pyridine
CID 70587292
(2,2,2-Trifluoroacetyl) 1,2-dihydropyridine-4-carboxylate
CID 142605858
diethyl (E,4Z)-4-[(prop-2-enylamino)methylidene]pent-2-enedioate
CID 71769730
4-(5-Oxo-5h-furan-2-ylmethylidene)-1,4-dihydropyridine
CID 176420232
ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate
CID 46311367
ethyl 3-fluoro-2-oxo-1H-pyridine-4-carboxylate
CID 46311516

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydropyridine-4-carboxylate?
The IUPAC name of ethyl 1,2-dihydropyridine-4-carboxylate (CID 6396302) is ethyl 1,2-dihydropyridine-4-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydropyridine-4-carboxylate?
The canonical SMILES for ethyl 1,2-dihydropyridine-4-carboxylate is CCOC(=O)C1=CCNC=C1.
What is the InChIKey of ethyl 1,2-dihydropyridine-4-carboxylate?
The InChIKey is ODYAOTZZYGIGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-5,9H,2,6H2,1H3.
What are the key properties of ethyl 1,2-dihydropyridine-4-carboxylate?
ethyl 1,2-dihydropyridine-4-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydropyridine-4-carboxylate is sourced from PubChem (CID 6396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).