ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate

C14H16FN3O3 — CID 57216105

IUPACethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C2=NC(C)(C(C)F)C(=O)N2)c1
InChIInChI=1S/C14H16FN3O3/c1-4-21-12(19)9-5-6-16-10(7-9)11-17-13(20)14(3,18-11)8(2)15/h5-8H,4H2,1-3H3,(H,17,18,20)
InChIKeyWSGRZZSNTKNUQN-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.25
Rot. Bonds4

About ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate

ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate (PubChem CID 57216105) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate
PubChem CID57216105
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C2=NC(C)(C(C)F)C(=O)N2)c1
InChIInChI=1S/C14H16FN3O3/c1-4-21-12(19)9-5-6-16-10(7-9)11-17-13(20)14(3,18-11)8(2)15/h5-8H,4H2,1-3H3,(H,17,18,20)
InChIKeyWSGRZZSNTKNUQN-UHFFFAOYSA-N
XLogP1.25
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate (CID 57216105) is ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(C2=NC(C)(C(C)F)C(=O)N2)c1.
What is the InChIKey of ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate?
The InChIKey is WSGRZZSNTKNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-4-21-12(19)9-5-6-16-10(7-9)11-17-13(20)14(3,18-11)8(2)15/h5-8H,4H2,1-3H3,(H,17,18,20).
What are the key properties of ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate?
ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-fluoroethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 57216105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).