7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole

C12H8BrClN2O — CID 118340563

IUPAC7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1cc2c(cc1Br)[nH]c1cncc(Cl)c12
InChIInChI=1S/C12H8BrClN2O/c1-17-11-2-6-9(3-7(11)13)16-10-5-15-4-8(14)12(6)10/h2-5,16H,1H3
InChIKeyWFBFPBMQUUFEHW-UHFFFAOYSA-N
MW311.57 g/mol
LogP4.14
Rot. Bonds1

About 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole

7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 118340563) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole
PubChem CID118340563
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1cc2c(cc1Br)[nH]c1cncc(Cl)c12
InChIInChI=1S/C12H8BrClN2O/c1-17-11-2-6-9(3-7(11)13)16-10-5-15-4-8(14)12(6)10/h2-5,16H,1H3
InChIKeyWFBFPBMQUUFEHW-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole (CID 118340563) is 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole is COc1cc2c(cc1Br)[nH]c1cncc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is WFBFPBMQUUFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c1-17-11-2-6-9(3-7(11)13)16-10-5-15-4-8(14)12(6)10/h2-5,16H,1H3.
What are the key properties of 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole?
7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 311.57 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-6-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 118340563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).