6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine

C12H10ClN3 — CID 21362735

IUPAC6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine
SMILESCNc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10ClN3/c1-14-10-5-7(13)4-9-8-2-3-15-6-11(8)16-12(9)10/h2-6,14,16H,1H3
InChIKeyBALNZLGPZZSCER-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.41
Rot. Bonds1

About 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine

6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine (PubChem CID 21362735) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine
PubChem CID21362735
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine
SMILESCNc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10ClN3/c1-14-10-5-7(13)4-9-8-2-3-15-6-11(8)16-12(9)10/h2-6,14,16H,1H3
InChIKeyBALNZLGPZZSCER-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine?
The IUPAC name of 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine (CID 21362735) is 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine.
What is the SMILES notation for 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine?
The canonical SMILES for 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine is CNc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine?
The InChIKey is BALNZLGPZZSCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-14-10-5-7(13)4-9-8-2-3-15-6-11(8)16-12(9)10/h2-6,14,16H,1H3.
What are the key properties of 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine?
6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine has a molecular weight of 231.69 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-9H-pyrido[3,4-b]indol-8-amine is sourced from PubChem (CID 21362735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).