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

C8H6F2N2 — CID 76847400

IUPAC7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)c1ccnc2cc[nH]c12
InChIInChI=1S/C8H6F2N2/c9-8(10)5-1-3-11-6-2-4-12-7(5)6/h1-4,8,12H
InChIKeyZPCCWTNWVXDONN-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.50
Rot. Bonds1

About 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine

7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 76847400) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID76847400
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)c1ccnc2cc[nH]c12
InChIInChI=1S/C8H6F2N2/c9-8(10)5-1-3-11-6-2-4-12-7(5)6/h1-4,8,12H
InChIKeyZPCCWTNWVXDONN-UHFFFAOYSA-N
XLogP2.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CID 76847400) is 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine is FC(F)c1ccnc2cc[nH]c12.
What is the InChIKey of 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZPCCWTNWVXDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c9-8(10)5-1-3-11-6-2-4-12-7(5)6/h1-4,8,12H.
What are the key properties of 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 168.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 76847400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).