3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile

C19H12N4 — CID 166634394

IUPAC3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1
InChIInChI=1S/C19H12N4/c20-9-13-3-1-4-14(7-13)16-8-17-18(12-23-19(17)22-11-16)15-5-2-6-21-10-15/h1-8,10-12H,(H,22,23)
InChIKeyLZRVQGICHAZQHW-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.16
Rot. Bonds2

About 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile

3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile (PubChem CID 166634394) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile
PubChem CID166634394
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1
InChIInChI=1S/C19H12N4/c20-9-13-3-1-4-14(7-13)16-8-17-18(12-23-19(17)22-11-16)15-5-2-6-21-10-15/h1-8,10-12H,(H,22,23)
InChIKeyLZRVQGICHAZQHW-UHFFFAOYSA-N
XLogP4.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile (CID 166634394) is 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile is N#Cc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1.
What is the InChIKey of 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile?
The InChIKey is LZRVQGICHAZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-9-13-3-1-4-14(7-13)16-8-17-18(12-23-19(17)22-11-16)15-5-2-6-21-10-15/h1-8,10-12H,(H,22,23).
What are the key properties of 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile?
3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 166634394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).