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

C17H16FN3 — CID 44612929

IUPAC8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2-c2cccnc2)C1
InChIInChI=1S/C17H16FN3/c1-20-8-6-17-15(11-20)14-9-12(18)4-5-16(14)21(17)13-3-2-7-19-10-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyXWIYNTVLPXXSSG-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.15
Rot. Bonds1

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

8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 44612929) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID44612929
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(F)ccc3n2-c2cccnc2)C1
InChIInChI=1S/C17H16FN3/c1-20-8-6-17-15(11-20)14-9-12(18)4-5-16(14)21(17)13-3-2-7-19-10-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyXWIYNTVLPXXSSG-UHFFFAOYSA-N
XLogP3.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.15
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-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 44612929) is 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2-c2cccnc2)C1.
What is the InChIKey of 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is XWIYNTVLPXXSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-20-8-6-17-15(11-20)14-9-12(18)4-5-16(14)21(17)13-3-2-7-19-10-13/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of 8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 281.33 g/mol, XLogP of 3.15, 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-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 44612929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).