2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

C14H9N3 — CID 58896795

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C14H9N3/c15-9-10-3-1-2-4-11(10)12-5-7-16-14-13(12)6-8-17-14/h1-8H,(H,16,17)
InChIKeyWDFQWVXAMJILDH-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

About 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (PubChem CID 58896795) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
PubChem CID58896795
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C14H9N3/c15-9-10-3-1-2-4-11(10)12-5-7-16-14-13(12)6-8-17-14/h1-8H,(H,16,17)
InChIKeyWDFQWVXAMJILDH-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-pyrido[2,3-b]pyrazin-8-ylbenzonitrile
CID 142880710
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 59268074
2-(2,4-dichlorophenyl)-1-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrole-3-carbonitrile
CID 165391936
4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 173127712
4-(6-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 11999615
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
2-(1H-imidazol-2-ylamino)benzonitrile
CID 83696844
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole
CID 167851772
4-methyl-3-oxo-4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]pentanenitrile
CID 58896874
3-[2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]ethyl]benzonitrile
CID 118481142

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (CID 58896795) is 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is N#Cc1ccccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The InChIKey is WDFQWVXAMJILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-10-3-1-2-4-11(10)12-5-7-16-14-13(12)6-8-17-14/h1-8H,(H,16,17).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile 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 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is sourced from PubChem (CID 58896795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).