methyl 2-phenyl-2-pyridin-2-ylacetate

C14H13NO2 — CID 3346835

IUPACmethyl 2-phenyl-2-pyridin-2-ylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-10,13H,1H3
InChIKeyKKHXWKFQTDTPJB-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-phenyl-2-pyridin-2-ylacetate

methyl 2-phenyl-2-pyridin-2-ylacetate (PubChem CID 3346835) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-phenyl-2-pyridin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-pyridin-2-ylacetate
PubChem CID3346835
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-phenyl-2-pyridin-2-ylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-10,13H,1H3
InChIKeyKKHXWKFQTDTPJB-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-pyridin-2-ylacetate?
The IUPAC name of methyl 2-phenyl-2-pyridin-2-ylacetate (CID 3346835) is methyl 2-phenyl-2-pyridin-2-ylacetate.
What is the SMILES notation for methyl 2-phenyl-2-pyridin-2-ylacetate?
The canonical SMILES for methyl 2-phenyl-2-pyridin-2-ylacetate is COC(=O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of methyl 2-phenyl-2-pyridin-2-ylacetate?
The InChIKey is KKHXWKFQTDTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-10,13H,1H3.
What are the key properties of methyl 2-phenyl-2-pyridin-2-ylacetate?
methyl 2-phenyl-2-pyridin-2-ylacetate has a molecular weight of 227.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-pyridin-2-ylacetate is sourced from PubChem (CID 3346835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).