ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine

C11H17FN2 — CID 142309010

IUPACethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc2c(n1C)=NC(F)CC=2
InChIInChI=1S/C9H11FN2.C2H6/c1-6-5-7-3-4-8(10)11-9(7)12(6)2;1-2/h3,5,8H,4H2,1-2H3;1-2H3
InChIKeyDGSZDIXGPLQVBS-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.46
Rot. Bonds

About ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine

ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 142309010) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID142309010
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Nameethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc2c(n1C)=NC(F)CC=2
InChIInChI=1S/C9H11FN2.C2H6/c1-6-5-7-3-4-8(10)11-9(7)12(6)2;1-2/h3,5,8H,4H2,1-2H3;1-2H3
InChIKeyDGSZDIXGPLQVBS-UHFFFAOYSA-N
XLogP1.46
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]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

(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
4-Fluoro-2-iodo-1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 134376327
N-(2-fluoropropan-2-yl)-2-methyl-6-methylidene-1,5-dihydropyrrolo[2,3-b]pyridin-3-amine
CID 137305119
(2E,4Z)-8-(6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)-N,N-dimethyl-6-methylideneocta-2,4-dien-7-yn-3-amine
CID 142308904
5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
(3Z,5E)-8-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)-N-(2-fluoroethyl)-N,6-dimethylocta-1,3,5-trien-7-yn-2-amine
CID 155197822
(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
(3E)-N-[(Z)-but-2-en-2-yl]-3-butylidene-1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrol-2-imine;ethane
CID 176970794
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
(3E)-N-[(Z)-but-2-en-2-yl]-3-butylidene-1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrol-2-imine
CID 176970795

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 142309010) is ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine is CC.Cc1cc2c(n1C)=NC(F)CC=2.
What is the InChIKey of ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is DGSZDIXGPLQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2.C2H6/c1-6-5-7-3-4-8(10)11-9(7)12(6)2;1-2/h3,5,8H,4H2,1-2H3;1-2H3.
What are the key properties of ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 196.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142309010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).