ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate

C12H12N2O2 — CID 53404665

IUPACethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc1-c1cccnc1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-4-3-5-13-6-9/h3-8,14H,2H2,1H3
InChIKeyVZXREBRDYJTSIN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds3

About ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate

ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate (PubChem CID 53404665) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
PubChem CID53404665
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc1-c1cccnc1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-4-3-5-13-6-9/h3-8,14H,2H2,1H3
InChIKeyVZXREBRDYJTSIN-UHFFFAOYSA-N
XLogP2.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
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ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
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ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
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ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate (CID 53404665) is ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c[nH]cc1-c1cccnc1.
What is the InChIKey of ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate?
The InChIKey is VZXREBRDYJTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-4-3-5-13-6-9/h3-8,14H,2H2,1H3.
What are the key properties of ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate?
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 53404665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).