ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate

C19H17F2N3O2 — CID 176718672

IUPACethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(F)cc2-c2cncc(F)c2)n(C)c1C
InChIInChI=1S/C19H17F2N3O2/c1-4-26-19(25)15-7-17(24(3)11(15)2)18-16(6-14(21)10-23-18)12-5-13(20)9-22-8-12/h5-10H,4H2,1-3H3
InChIKeyLCNXWFWCLGJXIS-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.91
Rot. Bonds4

About ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate

ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate (PubChem CID 176718672) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate
PubChem CID176718672
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Nameethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(F)cc2-c2cncc(F)c2)n(C)c1C
InChIInChI=1S/C19H17F2N3O2/c1-4-26-19(25)15-7-17(24(3)11(15)2)18-16(6-14(21)10-23-18)12-5-13(20)9-22-8-12/h5-10H,4H2,1-3H3
InChIKeyLCNXWFWCLGJXIS-UHFFFAOYSA-N
XLogP3.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 3-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-1-methylpyrazole-5-carboxylate
CID 66633572
ethyl 4-fluoro-5-methylpyridine-3-carboxylate
CID 130953044
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate
CID 140636179
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
ethyl 2-(5-fluoro-3-pyridinyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylate
CID 142411152
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate (CID 176718672) is ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ncc(F)cc2-c2cncc(F)c2)n(C)c1C.
What is the InChIKey of ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate?
The InChIKey is LCNXWFWCLGJXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-4-26-19(25)15-7-17(24(3)11(15)2)18-16(6-14(21)10-23-18)12-5-13(20)9-22-8-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate?
ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 176718672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).