5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine

C13H8F2N2 — CID 67960149

IUPAC5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cccc(F)c1-c1ccc2[nH]ccc2n1
InChIInChI=1S/C13H8F2N2/c14-8-2-1-3-9(15)13(8)12-5-4-10-11(17-12)6-7-16-10/h1-7,16H
InChIKeyMUMAMQVQWWDXCJ-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.51
Rot. Bonds1

About 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine

5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 67960149) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID67960149
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cccc(F)c1-c1ccc2[nH]ccc2n1
InChIInChI=1S/C13H8F2N2/c14-8-2-1-3-9(15)13(8)12-5-4-10-11(17-12)6-7-16-10/h1-7,16H
InChIKeyMUMAMQVQWWDXCJ-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine (CID 67960149) is 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine is Fc1cccc(F)c1-c1ccc2[nH]ccc2n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is MUMAMQVQWWDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-8-2-1-3-9(15)13(8)12-5-4-10-11(17-12)6-7-16-10/h1-7,16H.
What are the key properties of 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine?
5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 230.22 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67960149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).