2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile

C17H13F2N3 — CID 174254344

IUPAC2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile
SMILESCCCc1cc2cccnc2n1-c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C17H13F2N3/c1-2-4-12-7-11-5-3-6-21-17(11)22(12)13-8-15(18)14(10-20)16(19)9-13/h3,5-9H,2,4H2,1H3
InChIKeyOMLWTOGHQUOOSY-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.13
Rot. Bonds3

About 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile

2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile (PubChem CID 174254344) has the molecular formula C17H13F2N3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile
PubChem CID174254344
Molecular FormulaC17H13F2N3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile
SMILESCCCc1cc2cccnc2n1-c1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C17H13F2N3/c1-2-4-12-7-11-5-3-6-21-17(11)22(12)13-8-15(18)14(10-20)16(19)9-13/h3,5-9H,2,4H2,1H3
InChIKeyOMLWTOGHQUOOSY-UHFFFAOYSA-N
XLogP4.13
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile?
The IUPAC name of 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile (CID 174254344) is 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile?
The canonical SMILES for 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile is CCCc1cc2cccnc2n1-c1cc(F)c(C#N)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile?
The InChIKey is OMLWTOGHQUOOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3/c1-2-4-12-7-11-5-3-6-21-17(11)22(12)13-8-15(18)14(10-20)16(19)9-13/h3,5-9H,2,4H2,1H3.
What are the key properties of 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile?
2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile has a molecular weight of 297.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile is sourced from PubChem (CID 174254344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).