7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole

C11H5BrF2N2 — CID 134489276

IUPAC7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole
SMILESFc1c(Br)cc2[nH]c3ccncc3c2c1F
InChIInChI=1S/C11H5BrF2N2/c12-6-3-8-9(11(14)10(6)13)5-4-15-2-1-7(5)16-8/h1-4,16H
InChIKeyZHPZPXMJSHFCNX-UHFFFAOYSA-N
MW283.08 g/mol
LogP3.76
Rot. Bonds

About 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole

7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole (PubChem CID 134489276) has the molecular formula C11H5BrF2N2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole
PubChem CID134489276
Molecular FormulaC11H5BrF2N2
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole
SMILESFc1c(Br)cc2[nH]c3ccncc3c2c1F
InChIInChI=1S/C11H5BrF2N2/c12-6-3-8-9(11(14)10(6)13)5-4-15-2-1-7(5)16-8/h1-4,16H
InChIKeyZHPZPXMJSHFCNX-UHFFFAOYSA-N
XLogP3.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
8,9-dimethyl-5H-pyrido[4,3-b]indole
CID 91330855
ethane;5H-pyrido[4,3-b]indole
CID 176987523
2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol
CID 134361332
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole
CID 70509375
7-(5-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 155585000
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde
CID 142365152
3-bromo-4-fluoropyridine;ethane
CID 144770242
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole (CID 134489276) is 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole is Fc1c(Br)cc2[nH]c3ccncc3c2c1F.
What is the InChIKey of 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole?
The InChIKey is ZHPZPXMJSHFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2N2/c12-6-3-8-9(11(14)10(6)13)5-4-15-2-1-7(5)16-8/h1-4,16H.
What are the key properties of 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole?
7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole has a molecular weight of 283.08 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8,9-difluoro-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 134489276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).