8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C12H13ClN2 — CID 19418954

IUPAC8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(Cl)c2[nH]c3c(c2c1)CCNC3
InChIInChI=1S/C12H13ClN2/c1-7-4-9-8-2-3-14-6-11(8)15-12(9)10(13)5-7/h4-5,14-15H,2-3,6H2,1H3
InChIKeyMEMVNJLFSBZXFX-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.78
Rot. Bonds

About 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 19418954) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID19418954
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(Cl)c2[nH]c3c(c2c1)CCNC3
InChIInChI=1S/C12H13ClN2/c1-7-4-9-8-2-3-14-6-11(8)15-12(9)10(13)5-7/h4-5,14-15H,2-3,6H2,1H3
InChIKeyMEMVNJLFSBZXFX-UHFFFAOYSA-N
XLogP2.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 19418954) is 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Cc1cc(Cl)c2[nH]c3c(c2c1)CCNC3.
What is the InChIKey of 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is MEMVNJLFSBZXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-4-9-8-2-3-14-6-11(8)15-12(9)10(13)5-7/h4-5,14-15H,2-3,6H2,1H3.
What are the key properties of 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 220.70 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 19418954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).