9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C11H9BrClFN2 — CID 139387850

IUPAC9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESFc1c(Cl)cc(Br)c2c3c([nH]c12)CCNC3
InChIInChI=1S/C11H9BrClFN2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2
InChIKeySPKAKEUQCSGJND-UHFFFAOYSA-N
MW303.56 g/mol
LogP3.37
Rot. Bonds

About 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 139387850) has the molecular formula C11H9BrClFN2 and a molecular weight of 303.56 g/mol. Its IUPAC name is 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID139387850
Molecular FormulaC11H9BrClFN2
Molecular Weight303.56 g/mol
Exact Mass301.96
IUPAC Name9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESFc1c(Cl)cc(Br)c2c3c([nH]c12)CCNC3
InChIInChI=1S/C11H9BrClFN2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2
InChIKeySPKAKEUQCSGJND-UHFFFAOYSA-N
XLogP3.37
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-5-fluorobenzyl)-2-(4-chlorophenyl)-1H-indole
CID 172635491
3-(2-bromo-6-fluorobenzyl)-2-(4-chlorophenyl)-1H-indole
CID 172635492
3-(2-bromo-4-chlorobenzyl)-5-fluoro-2-methyl-1H-indole
CID 172635507
2-(4-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 3510047
7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 16066239
7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 23149976
9-chloro-6-fluoro-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole
CID 68283384
2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 68559992
5-Bromo-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 122504620
2-benzyl-9-bromo-7-chloro-6-fluoro-4-methyl-5H-pyrido[4,3-b]indol-2-ium
CID 139371573
4-bromo-6-chloro-7-fluoro-1H-indole
CID 139387819
9-bromo-7-chloro-5-(difluoromethyl)-6-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 139387849

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 139387850) is 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is Fc1c(Cl)cc(Br)c2c3c([nH]c12)CCNC3.
What is the InChIKey of 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is SPKAKEUQCSGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2.
What are the key properties of 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 303.56 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 139387850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).