8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

C11H8ClFN2O — CID 105424119

IUPAC8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESO=C1NCCc2[nH]c3cc(F)c(Cl)cc3c21
InChIInChI=1S/C11H8ClFN2O/c12-6-3-5-9(4-7(6)13)15-8-1-2-14-11(16)10(5)8/h3-4,15H,1-2H2,(H,14,16)
InChIKeyZJKAEHLHUINEGN-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.25
Rot. Bonds

About 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (PubChem CID 105424119) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
PubChem CID105424119
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESO=C1NCCc2[nH]c3cc(F)c(Cl)cc3c21
InChIInChI=1S/C11H8ClFN2O/c12-6-3-5-9(4-7(6)13)15-8-1-2-14-11(16)10(5)8/h3-4,15H,1-2H2,(H,14,16)
InChIKeyZJKAEHLHUINEGN-UHFFFAOYSA-N
XLogP2.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 105482527
7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424071
8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424073
12-chloro-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-3-one
CID 156540165
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424112
6,9-dichloro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424141
6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 69300451
6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424090
3-chloro-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 149372532
2-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 24743285
5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 162652710
8-chloro-9-fluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168762160

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The IUPAC name of 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (CID 105424119) is 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is O=C1NCCc2[nH]c3cc(F)c(Cl)cc3c21.
What is the InChIKey of 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The InChIKey is ZJKAEHLHUINEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-6-3-5-9(4-7(6)13)15-8-1-2-14-11(16)10(5)8/h3-4,15H,1-2H2,(H,14,16).
What are the key properties of 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one has a molecular weight of 238.65 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 105424119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).