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

C14H9N3 — CID 133096126

IUPAC6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C14H9N3/c15-9-12-8-11-6-7-16-14(11)17-13(12)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyIZIIUYRZXKKVGH-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

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

6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 133096126) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID133096126
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C14H9N3/c15-9-12-8-11-6-7-16-14(11)17-13(12)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyIZIIUYRZXKKVGH-UHFFFAOYSA-N
XLogP3.10
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile
CID 133094241
6-amino-2-phenylpyridine-3-carbonitrile
CID 121007722
5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 24851900
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
2-(1H-indol-5-yl)benzonitrile
CID 21468934
2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 131842504
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 46314749
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
naphthalene-2,3-dicarbonitrile
CID 601270
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 133096126) is 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cc2cc[nH]c2nc1-c1ccccc1.
What is the InChIKey of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is IZIIUYRZXKKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-12-8-11-6-7-16-14(11)17-13(12)10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 133096126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).