methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate

C13H12FN3O2 — CID 142350859

IUPACmethyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-13(18)10-4-12(9(14)5-15-10)17-6-11(16-7-17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyVRXOLKHIVCWURR-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate

methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate (PubChem CID 142350859) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate
PubChem CID142350859
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-13(18)10-4-12(9(14)5-15-10)17-6-11(16-7-17)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyVRXOLKHIVCWURR-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-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 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate (CID 142350859) is methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate is COC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.
What is the InChIKey of methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate?
The InChIKey is VRXOLKHIVCWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-13(18)10-4-12(9(14)5-15-10)17-6-11(16-7-17)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate?
methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate has a molecular weight of 261.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142350859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).