4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H11FN2 — CID 156715331

IUPAC4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C)C(F)=C2C=CNC2N1
InChIInChI=1S/C9H11FN2/c1-5-6(2)12-9-7(8(5)10)3-4-11-9/h3-4,9,11-12H,1-2H3
InChIKeyFXSKRGCOJQMTDU-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.55
Rot. Bonds

About 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 156715331) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID156715331
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C)C(F)=C2C=CNC2N1
InChIInChI=1S/C9H11FN2/c1-5-6(2)12-9-7(8(5)10)3-4-11-9/h3-4,9,11-12H,1-2H3
InChIKeyFXSKRGCOJQMTDU-UHFFFAOYSA-N
XLogP1.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[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

Dihydro 1h cyclopenta[d]pyrimidine
CID 69373796
5-[2-(1,8a-Dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine
CID 138718952
1,4-Dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
CID 140501600
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 151380274
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole
CID 174192470
2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole
CID 142070559
2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine
CID 151032650
4-Bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine
CID 162620356
(1Z,3Z)-5-(3-methyl-1,2,6,7-tetrahydrobenzimidazol-2-yl)hexa-1,3,5-trien-1-amine
CID 89053476
1-Methyl-2,3,5,6-tetrahydroimidazo[1,5-a]pyridine
CID 89292642

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 156715331) is 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1=C(C)C(F)=C2C=CNC2N1.
What is the InChIKey of 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FXSKRGCOJQMTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-5-6(2)12-9-7(8(5)10)3-4-11-9/h3-4,9,11-12H,1-2H3.
What are the key properties of 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 166.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156715331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).