methyl 2-phenylpyridine-3-carboxylate

C13H11NO2 — CID 10751082

IUPACmethyl 2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-16-13(15)11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyKWUIFNXSOUKTKE-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.54
Rot. Bonds2

About methyl 2-phenylpyridine-3-carboxylate

methyl 2-phenylpyridine-3-carboxylate (PubChem CID 10751082) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylpyridine-3-carboxylate
PubChem CID10751082
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-16-13(15)11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyKWUIFNXSOUKTKE-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 2-phenylpyridine-3-carboxylate (CID 10751082) is methyl 2-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-phenylpyridine-3-carboxylate is COC(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of methyl 2-phenylpyridine-3-carboxylate?
The InChIKey is KWUIFNXSOUKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-13(15)11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of methyl 2-phenylpyridine-3-carboxylate?
methyl 2-phenylpyridine-3-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 10751082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).