1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine

C9H8F2N2 — CID 139615824

IUPAC1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
SMILESFC(F)Cn1ccc2ncccc21
InChIInChI=1S/C9H8F2N2/c10-9(11)6-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2
InChIKeyDFQCTPKWQHXCCJ-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.30
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine

1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine (PubChem CID 139615824) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
PubChem CID139615824
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
SMILESFC(F)Cn1ccc2ncccc21
InChIInChI=1S/C9H8F2N2/c10-9(11)6-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2
InChIKeyDFQCTPKWQHXCCJ-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine 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

1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
CID 139631683
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
CID 158417064
[4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)phenyl]boronic acid
CID 155710915
1-hydroxypyrrolo[3,2-b]pyridine
CID 22988006
pyrrolo[3,2-b]pyridin-1-amine
CID 19601545
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
5-(5-chlorothiophen-2-yl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-1,2-oxazole
CID 141101479
3-fluoro-N'-pyridin-4-yl-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)benzenecarboximidamide
CID 129229569

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine (CID 139615824) is 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine is FC(F)Cn1ccc2ncccc21.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is DFQCTPKWQHXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c10-9(11)6-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine?
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 182.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 139615824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).