ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C16H14N2O2 — CID 165350273

IUPACethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-10-12-8-9-17-15(12)18-14(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyHJAAIUJDICCXLW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.41
Rot. Bonds3

About ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 165350273) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID165350273
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-10-12-8-9-17-15(12)18-14(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyHJAAIUJDICCXLW-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
CID 1489423
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10332014
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 165350273) is ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cc2cc[nH]c2nc1-c1ccccc1.
What is the InChIKey of ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is HJAAIUJDICCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)13-10-12-8-9-17-15(12)18-14(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 165350273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).