7-chloro-9H-pyrido[3,4-b]indol-3-amine

C11H8ClN3 — CID 115030362

IUPAC7-chloro-9H-pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c(cn1)[nH]c1cc(Cl)ccc12
InChIInChI=1S/C11H8ClN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14)
InChIKeyKVNDUHBSBDMDHB-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.95
Rot. Bonds

About 7-chloro-9H-pyrido[3,4-b]indol-3-amine

7-chloro-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115030362) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 7-chloro-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name7-chloro-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115030362
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name7-chloro-9H-pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c(cn1)[nH]c1cc(Cl)ccc12
InChIInChI=1S/C11H8ClN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14)
InChIKeyKVNDUHBSBDMDHB-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-chloro-9H-pyrido[3,4-b]indol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-9H-pyrido[3,4-b]indol-3-amine
CID 115048933
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 23559431
4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
CID 70942309
7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
CID 170651952
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
7-chloro-4-methyl-9H-carbazol-2-amine
CID 174859290
5,8-difluoroisoquinolin-3-amine
CID 53418204
17-chloro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-amine
CID 162670366
4,7-dichloroisoquinolin-1-amine
CID 133054133

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 7-chloro-9H-pyrido[3,4-b]indol-3-amine (CID 115030362) is 7-chloro-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 7-chloro-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 7-chloro-9H-pyrido[3,4-b]indol-3-amine is Nc1cc2c(cn1)[nH]c1cc(Cl)ccc12.
What is the InChIKey of 7-chloro-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is KVNDUHBSBDMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14).
What are the key properties of 7-chloro-9H-pyrido[3,4-b]indol-3-amine?
7-chloro-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 217.66 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115030362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).