methyl 1-phenyl-2H-pyridine-3-carboxylate

C13H13NO2 — CID 141149522

IUPACmethyl 1-phenyl-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C13H13NO2/c1-16-13(15)11-6-5-9-14(10-11)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyWIWGLVIEUOXFCG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.12
Rot. Bonds2

About methyl 1-phenyl-2H-pyridine-3-carboxylate

methyl 1-phenyl-2H-pyridine-3-carboxylate (PubChem CID 141149522) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1-phenyl-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-2H-pyridine-3-carboxylate
PubChem CID141149522
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 1-phenyl-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C13H13NO2/c1-16-13(15)11-6-5-9-14(10-11)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyWIWGLVIEUOXFCG-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-phenyl-2H-pyridine
CID 86669532
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1-phenyl-2H-pyridine-3-carbonitrile
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methyl 5-fluoro-5-phenylcyclohexa-1,3-diene-1-carboxylate
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dimethyl benzene-1,2-dicarboxylate;methane
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methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate
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methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
methyl benzoate;hydrate
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CID 157228504
CID 157228504
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
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di(113C)methyl benzene-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-2H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-phenyl-2H-pyridine-3-carboxylate (CID 141149522) is methyl 1-phenyl-2H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-phenyl-2H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-phenyl-2H-pyridine-3-carboxylate is COC(=O)C1=CC=CN(c2ccccc2)C1.
What is the InChIKey of methyl 1-phenyl-2H-pyridine-3-carboxylate?
The InChIKey is WIWGLVIEUOXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)11-6-5-9-14(10-11)12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of methyl 1-phenyl-2H-pyridine-3-carboxylate?
methyl 1-phenyl-2H-pyridine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-2H-pyridine-3-carboxylate is sourced from PubChem (CID 141149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).