2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

C13H14F2N2 — CID 123503963

IUPAC2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(C2CC3CNCCC3=N2)c(F)c1
InChIInChI=1S/C13H14F2N2/c14-9-1-2-10(11(15)6-9)13-5-8-7-16-4-3-12(8)17-13/h1-2,6,8,13,16H,3-5,7H2
InChIKeyLMOPHVCDKPBZRF-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.46
Rot. Bonds1

About 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 123503963) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID123503963
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1ccc(C2CC3CNCCC3=N2)c(F)c1
InChIInChI=1S/C13H14F2N2/c14-9-1-2-10(11(15)6-9)13-5-8-7-16-4-3-12(8)17-13/h1-2,6,8,13,16H,3-5,7H2
InChIKeyLMOPHVCDKPBZRF-UHFFFAOYSA-N
XLogP2.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 123503963) is 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is Fc1ccc(C2CC3CNCCC3=N2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is LMOPHVCDKPBZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-9-1-2-10(11(15)6-9)13-5-8-7-16-4-3-12(8)17-13/h1-2,6,8,13,16H,3-5,7H2.
What are the key properties of 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 236.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123503963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).