6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride

C20H21ClF2N2 — CID 138393193

IUPAC6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride
SMILESCC1CCc2c(c3cc(F)ccc3n2CCc2cncc(F)c2)C1.Cl
InChIInChI=1S/C20H20F2N2.ClH/c1-13-2-4-19-17(8-13)18-10-15(21)3-5-20(18)24(19)7-6-14-9-16(22)12-23-11-14;/h3,5,9-13H,2,4,6-8H2,1H3;1H
InChIKeyFEBPSIDJDIUVLE-UHFFFAOYSA-N
MW362.85 g/mol
LogP5.10
Rot. Bonds3

About 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride

6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride (PubChem CID 138393193) has the molecular formula C20H21ClF2N2 and a molecular weight of 362.85 g/mol. Its IUPAC name is 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride
PubChem CID138393193
Molecular FormulaC20H21ClF2N2
Molecular Weight362.85 g/mol
Exact Mass362.14
IUPAC Name6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride
SMILESCC1CCc2c(c3cc(F)ccc3n2CCc2cncc(F)c2)C1.Cl
InChIInChI=1S/C20H20F2N2.ClH/c1-13-2-4-19-17(8-13)18-10-15(21)3-5-20(18)24(19)7-6-14-9-16(22)12-23-11-14;/h3,5,9-13H,2,4,6-8H2,1H3;1H
InChIKeyFEBPSIDJDIUVLE-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.85
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 25233167
8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550833
2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-(trifluoromethoxy)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 71569642
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 146061141
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550813
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
9-fluoro-2-methyl-6-[2-(6-methyl-3-pyridinyl)ethyl]-1,3,4,5-tetrahydroazepino[4,3-b]indole;dihydrochloride
CID 146061138
8-fluoro-5-[2-(3-fluorophenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759165
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
8-fluoro-1,2-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029828
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride?
The IUPAC name of 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride (CID 138393193) is 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride.
What is the SMILES notation for 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride?
The canonical SMILES for 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride is CC1CCc2c(c3cc(F)ccc3n2CCc2cncc(F)c2)C1.Cl.
What is the InChIKey of 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride?
The InChIKey is FEBPSIDJDIUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2.ClH/c1-13-2-4-19-17(8-13)18-10-15(21)3-5-20(18)24(19)7-6-14-9-16(22)12-23-11-14;/h3,5,9-13H,2,4,6-8H2,1H3;1H.
What are the key properties of 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride?
6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride is sourced from PubChem (CID 138393193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).