methyl 2-fluoro-1H-imidazole-5-carboxylate

C5H5FN2O2 — CID 574936

IUPACmethyl 2-fluoro-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(F)[nH]1
InChIInChI=1S/C5H5FN2O2/c1-10-4(9)3-2-7-5(6)8-3/h2H,1H3,(H,7,8)
InChIKeyTWHYMJGCJMJVSC-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.34
Rot. Bonds1

About methyl 2-fluoro-1H-imidazole-5-carboxylate

methyl 2-fluoro-1H-imidazole-5-carboxylate (PubChem CID 574936) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is methyl 2-fluoro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-1H-imidazole-5-carboxylate
PubChem CID574936
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Namemethyl 2-fluoro-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(F)[nH]1
InChIInChI=1S/C5H5FN2O2/c1-10-4(9)3-2-7-5(6)8-3/h2H,1H3,(H,7,8)
InChIKeyTWHYMJGCJMJVSC-UHFFFAOYSA-N
XLogP0.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-1H-imidazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-fluoro-1H-imidazole-5-carboxylate (CID 574936) is methyl 2-fluoro-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-fluoro-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-fluoro-1H-imidazole-5-carboxylate is COC(=O)c1cnc(F)[nH]1.
What is the InChIKey of methyl 2-fluoro-1H-imidazole-5-carboxylate?
The InChIKey is TWHYMJGCJMJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-10-4(9)3-2-7-5(6)8-3/h2H,1H3,(H,7,8).
What are the key properties of methyl 2-fluoro-1H-imidazole-5-carboxylate?
methyl 2-fluoro-1H-imidazole-5-carboxylate has a molecular weight of 144.10 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).