(3-phenyl-2-pyridinyl)methyl acetate

C14H13NO2 — CID 10633060

IUPAC(3-phenyl-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ncccc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)17-10-14-13(8-5-9-15-14)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyKPCBKUHGQRJOJF-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.81
Rot. Bonds3

About (3-phenyl-2-pyridinyl)methyl acetate

(3-phenyl-2-pyridinyl)methyl acetate (PubChem CID 10633060) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3-phenyl-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(3-phenyl-2-pyridinyl)methyl acetate
PubChem CID10633060
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(3-phenyl-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ncccc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)17-10-14-13(8-5-9-15-14)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyKPCBKUHGQRJOJF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[(3-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 175810966
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl acetate
CID 162387085
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate
CID 8785
(3-phenyl-2-pyridinyl) carbamate
CID 155234314
3-phenylpyridine-2-carboxylic acid
CID 2762789
(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
CID 16751644
3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide
CID 149258172
benzyl acetate;molecular nitrogen
CID 174861862
[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate
CID 174472025

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-pyridinyl)methyl acetate?
The IUPAC name of (3-phenyl-2-pyridinyl)methyl acetate (CID 10633060) is (3-phenyl-2-pyridinyl)methyl acetate.
What is the SMILES notation for (3-phenyl-2-pyridinyl)methyl acetate?
The canonical SMILES for (3-phenyl-2-pyridinyl)methyl acetate is CC(=O)OCc1ncccc1-c1ccccc1.
What is the InChIKey of (3-phenyl-2-pyridinyl)methyl acetate?
The InChIKey is KPCBKUHGQRJOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)17-10-14-13(8-5-9-15-14)12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of (3-phenyl-2-pyridinyl)methyl acetate?
(3-phenyl-2-pyridinyl)methyl acetate has a molecular weight of 227.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-pyridinyl)methyl acetate is sourced from PubChem (CID 10633060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).