ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate

C13H14N2O2 — CID 134861602

IUPACethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c1-c1ccncc1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)11-9(2)8-15-12(11)10-4-6-14-7-5-10/h4-8,15H,3H2,1-2H3
InChIKeyNKQUHFUOAXSJMH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.56
Rot. Bonds3

About ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate

ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate (PubChem CID 134861602) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
PubChem CID134861602
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c1-c1ccncc1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)11-9(2)8-15-12(11)10-4-6-14-7-5-10/h4-8,15H,3H2,1-2H3
InChIKeyNKQUHFUOAXSJMH-UHFFFAOYSA-N
XLogP2.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromophenyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 53254198
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230
2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate
CID 18470736
4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine
CID 121217815
ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
CID 59988458
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl 4-[(3,4-dichlorophenyl)methyl]-2-phenyl-1H-pyrrole-3-carboxylate
CID 18871128
ethyl 2-amino-4-(4-fluorophenyl)-5-pyridin-4-ylthiophene-3-carboxylate
CID 139906318
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 5-pyridin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 19959194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate (CID 134861602) is ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)c[nH]c1-c1ccncc1.
What is the InChIKey of ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate?
The InChIKey is NKQUHFUOAXSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-13(16)11-9(2)8-15-12(11)10-4-6-14-7-5-10/h4-8,15H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate?
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 134861602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).