3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

C8H11Cl2FN2 — CID 135396930

IUPAC3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCC1NCc2cc(F)cnc21.Cl.Cl
InChIInChI=1S/C8H9FN2.2ClH/c1-5-8-6(3-10-5)2-7(9)4-11-8;;/h2,4-5,10H,3H2,1H3;2*1H
InChIKeyLUSBPIBCRVOYBF-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.23
Rot. Bonds

About 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (PubChem CID 135396930) has the molecular formula C8H11Cl2FN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
PubChem CID135396930
Molecular FormulaC8H11Cl2FN2
Molecular Weight225.09 g/mol
Exact Mass224.03
IUPAC Name3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCC1NCc2cc(F)cnc21.Cl.Cl
InChIInChI=1S/C8H9FN2.2ClH/c1-5-8-6(3-10-5)2-7(9)4-11-8;;/h2,4-5,10H,3H2,1H3;2*1H
InChIKeyLUSBPIBCRVOYBF-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
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1-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68632230
10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 116532178
3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
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CID 154934858
5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 64688817
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 133063202
5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 142533269
5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine;hydrochloride
CID 154957348
3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176961013

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The IUPAC name of 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (CID 135396930) is 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is CC1NCc2cc(F)cnc21.Cl.Cl.
What is the InChIKey of 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is LUSBPIBCRVOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2.2ClH/c1-5-8-6(3-10-5)2-7(9)4-11-8;;/h2,4-5,10H,3H2,1H3;2*1H.
What are the key properties of 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 225.09 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is sourced from PubChem (CID 135396930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).