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

C8H6F2N2 — CID 126421781

IUPAC2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine
SMILESFC(F)C1=NC2=NC=CCC2=C1
InChIInChI=1S/C8H6F2N2/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1,3-4,7H,2H2
InChIKeyMYEZPLMLVXLSTA-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.95
Rot. Bonds1

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

2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine (PubChem CID 126421781) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine
PubChem CID126421781
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine
SMILESFC(F)C1=NC2=NC=CCC2=C1
InChIInChI=1S/C8H6F2N2/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1,3-4,7H,2H2
InChIKeyMYEZPLMLVXLSTA-UHFFFAOYSA-N
XLogP1.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9h-Pyrrolo[2,3-b:4,5-b']dipyridine
CID 129845236
(4S)-4-fluoro-4H-pyrrolo[2,3-b]pyridine
CID 124279401
(4R)-4-fluoro-4H-pyrrolo[2,3-b]pyridine
CID 124279402
3-fluoro-4H-pyrrolo[2,3-b]pyridine
CID 125421369

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine (CID 126421781) is 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine is FC(F)C1=NC2=NC=CCC2=C1.
What is the InChIKey of 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine?
The InChIKey is MYEZPLMLVXLSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1,3-4,7H,2H2.
What are the key properties of 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine?
2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine has a molecular weight of 168.15 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126421781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).