8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C12H12ClFN2 — CID 59455009

IUPAC8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCN1CCc2[nH]c3ccc(Cl)c(F)c3c2C1
InChIInChI=1S/C12H12ClFN2/c1-16-5-4-9-7(6-16)11-10(15-9)3-2-8(13)12(11)14/h2-3,15H,4-6H2,1H3
InChIKeyHLADHBYDCHCACE-UHFFFAOYSA-N
MW238.69 g/mol
LogP2.95
Rot. Bonds

About 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 59455009) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID59455009
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCN1CCc2[nH]c3ccc(Cl)c(F)c3c2C1
InChIInChI=1S/C12H12ClFN2/c1-16-5-4-9-7(6-16)11-10(15-9)3-2-8(13)12(11)14/h2-3,15H,4-6H2,1H3
InChIKeyHLADHBYDCHCACE-UHFFFAOYSA-N
XLogP2.95
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 687265
5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 84669129
12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 68761682
8-chloro-9-fluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762160
4-methyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 68757376
10-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 154694334
8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 45113403
7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 84666615
2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142873431
5-methyl-2,3-dimethylidene-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 91284133
(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 70308607
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 56889727

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 59455009) is 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CN1CCc2[nH]c3ccc(Cl)c(F)c3c2C1.
What is the InChIKey of 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is HLADHBYDCHCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-16-5-4-9-7(6-16)11-10(15-9)3-2-8(13)12(11)14/h2-3,15H,4-6H2,1H3.
What are the key properties of 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 238.69 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 59455009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).