methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate

C13H13N3O2 — CID 139581268

IUPACmethyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)11-6-10(4-5-14-11)16-7-12(15-8-16)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyFNTTWONEFWINNN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds3

About methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate

methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate (PubChem CID 139581268) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate
PubChem CID139581268
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)11-6-10(4-5-14-11)16-7-12(15-8-16)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyFNTTWONEFWINNN-UHFFFAOYSA-N
XLogP1.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate (CID 139581268) is methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate is COC(=O)c1cc(-n2cnc(C3CC3)c2)ccn1.
What is the InChIKey of methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate?
The InChIKey is FNTTWONEFWINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-13(17)11-6-10(4-5-14-11)16-7-12(15-8-16)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate?
methyl 4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 1.93, 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)pyridine-2-carboxylate is sourced from PubChem (CID 139581268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).