ethyl 2-phenylpyridine-3-carboxylate

C14H13NO2 — CID 10846916

IUPACethyl 2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyRQHOSUIKZMCYGD-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.93
Rot. Bonds3

About ethyl 2-phenylpyridine-3-carboxylate

ethyl 2-phenylpyridine-3-carboxylate (PubChem CID 10846916) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylpyridine-3-carboxylate
PubChem CID10846916
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyRQHOSUIKZMCYGD-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 31018317
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
CID 67712315
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-phenylpyridine-3-carboxylate (CID 10846916) is ethyl 2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-phenylpyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of ethyl 2-phenylpyridine-3-carboxylate?
The InChIKey is RQHOSUIKZMCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-phenylpyridine-3-carboxylate?
ethyl 2-phenylpyridine-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 10846916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).