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

C14H9N3 — CID 133095528

IUPAC6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nc(-c3ccccc3)ccc12
InChIInChI=1S/C14H9N3/c15-8-11-9-16-14-12(11)6-7-13(17-14)10-4-2-1-3-5-10/h1-7,9H,(H,16,17)
InChIKeyOPGQQUAUDZKBHT-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

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

6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 133095528) 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-3-carbonitrile.

Molecular Properties

Compound Name6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID133095528
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nc(-c3ccccc3)ccc12
InChIInChI=1S/C14H9N3/c15-8-11-9-16-14-12(11)6-7-13(17-14)10-4-2-1-3-5-10/h1-7,9H,(H,16,17)
InChIKeyOPGQQUAUDZKBHT-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

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7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
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2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline-5,6-dicarbonitrile
CID 89014540
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
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5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 24851900
2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile
CID 100974986
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
CID 2216887
6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 133096126
2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142697569
2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 133095528) is 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nc(-c3ccccc3)ccc12.
What is the InChIKey of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is OPGQQUAUDZKBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-8-11-9-16-14-12(11)6-7-13(17-14)10-4-2-1-3-5-10/h1-7,9H,(H,16,17).
What are the key properties of 6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 133095528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).