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

C13H8F2N2 — CID 102087017

IUPAC1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine
SMILESFc1cc(F)cc(-n2ccc3cccnc32)c1
InChIInChI=1S/C13H8F2N2/c14-10-6-11(15)8-12(7-10)17-5-3-9-2-1-4-16-13(9)17/h1-8H
InChIKeyNCIIDOKMEKLFKC-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.30
Rot. Bonds1

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

1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine (PubChem CID 102087017) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine
PubChem CID102087017
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine
SMILESFc1cc(F)cc(-n2ccc3cccnc32)c1
InChIInChI=1S/C13H8F2N2/c14-10-6-11(15)8-12(7-10)17-5-3-9-2-1-4-16-13(9)17/h1-8H
InChIKeyNCIIDOKMEKLFKC-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine (CID 102087017) is 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine is Fc1cc(F)cc(-n2ccc3cccnc32)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is NCIIDOKMEKLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-10-6-11(15)8-12(7-10)17-5-3-9-2-1-4-16-13(9)17/h1-8H.
What are the key properties of 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine?
1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 230.22 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 102087017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).