1-methyl-9H-pyrido[3,4-b]indole;hydrochloride

C12H11ClN2 — CID 5487918

IUPAC1-methyl-9H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1nccc2c1[nH]c1ccccc12.Cl
InChIInChI=1S/C12H10N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-7,14H,1H3;1H
InChIKeyCOVNOIRYDKHLJD-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.45
Rot. Bonds

About 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride

1-methyl-9H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 5487918) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1-methyl-9H-pyrido[3,4-b]indole;hydrochloride
PubChem CID5487918
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name1-methyl-9H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1nccc2c1[nH]c1ccccc12.Cl
InChIInChI=1S/C12H10N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-7,14H,1H3;1H
InChIKeyCOVNOIRYDKHLJD-UHFFFAOYSA-N
XLogP3.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride (CID 5487918) is 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride is Cc1nccc2c1[nH]c1ccccc12.Cl.
What is the InChIKey of 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is COVNOIRYDKHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-7,14H,1H3;1H.
What are the key properties of 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride?
1-methyl-9H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 5487918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).