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

C9H11FN2 — CID 142309011

IUPAC6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCc1cc2c(n1C)=NC(F)CC=2
InChIInChI=1S/C9H11FN2/c1-6-5-7-3-4-8(10)11-9(7)12(6)2/h3,5,8H,4H2,1-2H3
InChIKeyPDVXBYPWTSKLLN-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.43
Rot. Bonds

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

6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 142309011) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID142309011
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCc1cc2c(n1C)=NC(F)CC=2
InChIInChI=1S/C9H11FN2/c1-6-5-7-3-4-8(10)11-9(7)12(6)2/h3,5,8H,4H2,1-2H3
InChIKeyPDVXBYPWTSKLLN-UHFFFAOYSA-N
XLogP0.43
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.43
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'}

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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
(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
3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 172576159
(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
(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
2,2,5,6,8-pentamethyl-3H-imidazo[1,2-a]pyridine
CID 20677189

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 142309011) is 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine is Cc1cc2c(n1C)=NC(F)CC=2.
What is the InChIKey of 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is PDVXBYPWTSKLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-5-7-3-4-8(10)11-9(7)12(6)2/h3,5,8H,4H2,1-2H3.
What are the key properties of 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 166.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142309011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).