2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

C13H16F2N2 — CID 123527109

IUPAC2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFC1=C(C2CC3CNCCC3=N2)C(F)CC=C1
InChIInChI=1S/C13H16F2N2/c14-9-2-1-3-10(15)13(9)12-6-8-7-16-5-4-11(8)17-12/h1-2,8,10,12,16H,3-7H2
InChIKeyDYTBMXKSCXXHDJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.33
Rot. Bonds1

About 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 123527109) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID123527109
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFC1=C(C2CC3CNCCC3=N2)C(F)CC=C1
InChIInChI=1S/C13H16F2N2/c14-9-2-1-3-10(15)13(9)12-6-8-7-16-5-4-11(8)17-12/h1-2,8,10,12,16H,3-7H2
InChIKeyDYTBMXKSCXXHDJ-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexahydropyrroloisoquinoline
CID 67544643
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
5-[2-(6-Fluorocyclohexa-1,3-dien-1-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-4-methylhexan-2-imine
CID 123398382
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 123495117
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-c]pyridine
CID 123653362
2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
3-(3-fluorocyclohexa-2,4-dien-1-yl)-N-piperidin-4-yl-7-azabicyclo[4.2.0]octa-2,6-dien-5-amine
CID 163893228
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 123527109) is 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is FC1=C(C2CC3CNCCC3=N2)C(F)CC=C1.
What is the InChIKey of 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is DYTBMXKSCXXHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-9-2-1-3-10(15)13(9)12-6-8-7-16-5-4-11(8)17-12/h1-2,8,10,12,16H,3-7H2.
What are the key properties of 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 238.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).