2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C9H5F2N3 — CID 118224867

IUPAC2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESN#Cc1ccnc2[nH]c(C(F)F)cc12
InChIInChI=1S/C9H5F2N3/c10-8(11)7-3-6-5(4-12)1-2-13-9(6)14-7/h1-3,8H,(H,13,14)
InChIKeyQOQKRPFJGHQPOD-UHFFFAOYSA-N
MW193.16 g/mol
LogP2.37
Rot. Bonds1

About 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (PubChem CID 118224867) has the molecular formula C9H5F2N3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
PubChem CID118224867
Molecular FormulaC9H5F2N3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESN#Cc1ccnc2[nH]c(C(F)F)cc12
InChIInChI=1S/C9H5F2N3/c10-8(11)7-3-6-5(4-12)1-2-13-9(6)14-7/h1-3,8H,(H,13,14)
InChIKeyQOQKRPFJGHQPOD-UHFFFAOYSA-N
XLogP2.37
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 59744449
2-phenyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 118805090
2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide;dihydrochloride
CID 118224918
4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile
CID 24985632
1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 69434551
2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
CID 130095973
2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 123135618
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
furo[2,3-b]pyridine-4-carbonitrile
CID 133054098
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile
CID 118224812
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795
4-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 130062826

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CID 118224867) is 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is N#Cc1ccnc2[nH]c(C(F)F)cc12.
What is the InChIKey of 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The InChIKey is QOQKRPFJGHQPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3/c10-8(11)7-3-6-5(4-12)1-2-13-9(6)14-7/h1-3,8H,(H,13,14).
What are the key properties of 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile has a molecular weight of 193.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is sourced from PubChem (CID 118224867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).