methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate

C14H11N3O2 — CID 4298771

IUPACmethyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)10-6-7-13(15-8-10)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyQMOFUOMYIMGNIC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds2

About methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate

methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate (PubChem CID 4298771) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
PubChem CID4298771
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)10-6-7-13(15-8-10)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyQMOFUOMYIMGNIC-UHFFFAOYSA-N
XLogP2.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate (CID 4298771) is methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate?
The InChIKey is QMOFUOMYIMGNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)10-6-7-13(15-8-10)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3.
What are the key properties of methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate?
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 4298771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).