6-chloro-1-methylpyrido[2,3-b]indole

C12H9ClN2 — CID 15135768

IUPAC6-chloro-1-methylpyrido[2,3-b]indole
SMILESCn1cccc2c3cc(Cl)ccc3nc1-2
InChIInChI=1S/C12H9ClN2/c1-15-6-2-3-9-10-7-8(13)4-5-11(10)14-12(9)15/h2-7H,1H3
InChIKeyRQKUPDLTKDFMPL-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.33
Rot. Bonds

About 6-chloro-1-methylpyrido[2,3-b]indole

6-chloro-1-methylpyrido[2,3-b]indole (PubChem CID 15135768) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-1-methylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-chloro-1-methylpyrido[2,3-b]indole
PubChem CID15135768
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name6-chloro-1-methylpyrido[2,3-b]indole
SMILESCn1cccc2c3cc(Cl)ccc3nc1-2
InChIInChI=1S/C12H9ClN2/c1-15-6-2-3-9-10-7-8(13)4-5-11(10)14-12(9)15/h2-7H,1H3
InChIKeyRQKUPDLTKDFMPL-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
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6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylpyrido[2,3-b]indole?
The IUPAC name of 6-chloro-1-methylpyrido[2,3-b]indole (CID 15135768) is 6-chloro-1-methylpyrido[2,3-b]indole.
What is the SMILES notation for 6-chloro-1-methylpyrido[2,3-b]indole?
The canonical SMILES for 6-chloro-1-methylpyrido[2,3-b]indole is Cn1cccc2c3cc(Cl)ccc3nc1-2.
What is the InChIKey of 6-chloro-1-methylpyrido[2,3-b]indole?
The InChIKey is RQKUPDLTKDFMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-15-6-2-3-9-10-7-8(13)4-5-11(10)14-12(9)15/h2-7H,1H3.
What are the key properties of 6-chloro-1-methylpyrido[2,3-b]indole?
6-chloro-1-methylpyrido[2,3-b]indole has a molecular weight of 216.67 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylpyrido[2,3-b]indole is sourced from PubChem (CID 15135768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).