benzyl pyridine-2-carboxylate

C13H11NO2 — CID 2381230

IUPACbenzyl pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccccn1
InChIInChI=1S/C13H11NO2/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPNEBXWLVOMLIPS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.44
Rot. Bonds3

About benzyl pyridine-2-carboxylate

benzyl pyridine-2-carboxylate (PubChem CID 2381230) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is benzyl pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl pyridine-2-carboxylate
PubChem CID2381230
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namebenzyl pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccccn1
InChIInChI=1S/C13H11NO2/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPNEBXWLVOMLIPS-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl pyridine-2-carboxylate?
The IUPAC name of benzyl pyridine-2-carboxylate (CID 2381230) is benzyl pyridine-2-carboxylate.
What is the SMILES notation for benzyl pyridine-2-carboxylate?
The canonical SMILES for benzyl pyridine-2-carboxylate is O=C(OCc1ccccc1)c1ccccn1.
What is the InChIKey of benzyl pyridine-2-carboxylate?
The InChIKey is PNEBXWLVOMLIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of benzyl pyridine-2-carboxylate?
benzyl pyridine-2-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyridine-2-carboxylate is sourced from PubChem (CID 2381230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).