2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole

C13H14F2N2 — CID 65335800

IUPAC2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C13H14F2N2/c1-2-17-4-3-12-10(7-17)9-5-8(14)6-11(15)13(9)16-12/h5-6,16H,2-4,7H2,1H3
InChIKeyOQMSJUKNZZGSHO-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.82
Rot. Bonds1

About 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 65335800) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID65335800
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C13H14F2N2/c1-2-17-4-3-12-10(7-17)9-5-8(14)6-11(15)13(9)16-12/h5-6,16H,2-4,7H2,1H3
InChIKeyOQMSJUKNZZGSHO-UHFFFAOYSA-N
XLogP2.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335745
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
CID 56730042
2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144821043
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335339
8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824
6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470307
2-ethyl-4,5,7-trifluoro-1,3-dihydroisoindole
CID 170614128
(11aR)-7-fluoro-9-methyl-2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indole
CID 118481818
5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
CID 122154350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 65335800) is 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole is CCN1CCc2[nH]c3c(F)cc(F)cc3c2C1.
What is the InChIKey of 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is OQMSJUKNZZGSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-2-17-4-3-12-10(7-17)9-5-8(14)6-11(15)13(9)16-12/h5-6,16H,2-4,7H2,1H3.
What are the key properties of 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 236.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 65335800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).