methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate

C14H14N2O3 — CID 89203213

IUPACmethyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate
SMILESCCc1c(-c2ccccn2)[nH]c(C=O)c1C(=O)OC
InChIInChI=1S/C14H14N2O3/c1-3-9-12(14(18)19-2)11(8-17)16-13(9)10-6-4-5-7-15-10/h4-8,16H,3H2,1-2H3
InChIKeyLDTXPPQGXOINEV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.24
Rot. Bonds4

About methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate

methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate (PubChem CID 89203213) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate
PubChem CID89203213
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate
SMILESCCc1c(-c2ccccn2)[nH]c(C=O)c1C(=O)OC
InChIInChI=1S/C14H14N2O3/c1-3-9-12(14(18)19-2)11(8-17)16-13(9)10-6-4-5-7-15-10/h4-8,16H,3H2,1-2H3
InChIKeyLDTXPPQGXOINEV-UHFFFAOYSA-N
XLogP2.24
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate (CID 89203213) is methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate is CCc1c(-c2ccccn2)[nH]c(C=O)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate?
The InChIKey is LDTXPPQGXOINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-9-12(14(18)19-2)11(8-17)16-13(9)10-6-4-5-7-15-10/h4-8,16H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate?
methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-formyl-5-pyridin-2-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 89203213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).