5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile

C14H9N3 — CID 24851900

IUPAC5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc2cc[nH]c12
InChIInChI=1S/C14H9N3/c15-9-11-8-13(10-4-2-1-3-5-10)17-12-6-7-16-14(11)12/h1-8,16H
InChIKeyDEFAWDPORBYAFI-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

About 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile

5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile (PubChem CID 24851900) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
PubChem CID24851900
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc2cc[nH]c12
InChIInChI=1S/C14H9N3/c15-9-11-8-13(10-4-2-1-3-5-10)17-12-6-7-16-14(11)12/h1-8,16H
InChIKeyDEFAWDPORBYAFI-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

7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine
CID 82375046
2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386
6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 133096126
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
CID 142753884
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 133095528
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The IUPAC name of 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile (CID 24851900) is 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile.
What is the SMILES notation for 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The canonical SMILES for 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile is N#Cc1cc(-c2ccccc2)nc2cc[nH]c12.
What is the InChIKey of 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The InChIKey is DEFAWDPORBYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-11-8-13(10-4-2-1-3-5-10)17-12-6-7-16-14(11)12/h1-8,16H.
What are the key properties of 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-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 5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile is sourced from PubChem (CID 24851900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).