8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride

C17H18Cl2FN3 — CID 44613059

IUPAC8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
SMILESCN1CCc2c(c3cc(F)ccc3n2-c2ccncc2)C1.Cl.Cl
InChIInChI=1S/C17H16FN3.2ClH/c1-20-9-6-17-15(11-20)14-10-12(18)2-3-16(14)21(17)13-4-7-19-8-5-13;;/h2-5,7-8,10H,6,9,11H2,1H3;2*1H
InChIKeyNYXDFMCFQGVGDJ-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.00
Rot. Bonds1

About 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride

8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride (PubChem CID 44613059) has the molecular formula C17H18Cl2FN3 and a molecular weight of 354.26 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
PubChem CID44613059
Molecular FormulaC17H18Cl2FN3
Molecular Weight354.26 g/mol
Exact Mass353.09
IUPAC Name8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
SMILESCN1CCc2c(c3cc(F)ccc3n2-c2ccncc2)C1.Cl.Cl
InChIInChI=1S/C17H16FN3.2ClH/c1-20-9-6-17-15(11-20)14-10-12(18)2-3-16(14)21(17)13-4-7-19-8-5-13;;/h2-5,7-8,10H,6,9,11H2,1H3;2*1H
InChIKeyNYXDFMCFQGVGDJ-UHFFFAOYSA-N
XLogP4.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride?
The IUPAC name of 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride (CID 44613059) is 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride.
What is the SMILES notation for 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride?
The canonical SMILES for 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride is CN1CCc2c(c3cc(F)ccc3n2-c2ccncc2)C1.Cl.Cl.
What is the InChIKey of 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride?
The InChIKey is NYXDFMCFQGVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3.2ClH/c1-20-9-6-17-15(11-20)14-10-12(18)2-3-16(14)21(17)13-4-7-19-8-5-13;;/h2-5,7-8,10H,6,9,11H2,1H3;2*1H.
What are the key properties of 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride?
8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride has a molecular weight of 354.26 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride is sourced from PubChem (CID 44613059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).