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

C13H11ClN2O — CID 141129553

IUPAC6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole
SMILESCCOc1cc2[nH]c3cnccc3c2cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-2-17-13-6-11-9(5-10(13)14)8-3-4-15-7-12(8)16-11/h3-7,16H,2H2,1H3
InChIKeyPQDJNDAUIAVBTD-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.77
Rot. Bonds2

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

6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole (PubChem CID 141129553) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole
PubChem CID141129553
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole
SMILESCCOc1cc2[nH]c3cnccc3c2cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-2-17-13-6-11-9(5-10(13)14)8-3-4-15-7-12(8)16-11/h3-7,16H,2H2,1H3
InChIKeyPQDJNDAUIAVBTD-UHFFFAOYSA-N
XLogP3.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
CID 135314461
6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
CID 21362743
6-chloro-7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-amine
CID 67166595
8-ethoxyisoquinolin-5-amine
CID 103139590
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine
CID 89209684
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
3-ethoxy-4-propylpyridine
CID 176934400
9H-pyrido[3,4-b]indole-7-carbonitrile
CID 22185223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole (CID 141129553) is 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole is CCOc1cc2[nH]c3cnccc3c2cc1Cl.
What is the InChIKey of 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is PQDJNDAUIAVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-2-17-13-6-11-9(5-10(13)14)8-3-4-15-7-12(8)16-11/h3-7,16H,2H2,1H3.
What are the key properties of 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole?
6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 246.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 141129553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).