7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine

C11H12BrN3 — CID 82379783

IUPAC7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine
SMILESNc1cc2c3c([nH]c2cc1Br)CCNC3
InChIInChI=1S/C11H12BrN3/c12-8-4-11-6(3-9(8)13)7-5-14-2-1-10(7)15-11/h3-4,14-15H,1-2,5,13H2
InChIKeySVIIKSTXSKELLC-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.16
Rot. Bonds

About 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine

7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine (PubChem CID 82379783) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine
PubChem CID82379783
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine
SMILESNc1cc2c3c([nH]c2cc1Br)CCNC3
InChIInChI=1S/C11H12BrN3/c12-8-4-11-6(3-9(8)13)7-5-14-2-1-10(7)15-11/h3-4,14-15H,1-2,5,13H2
InChIKeySVIIKSTXSKELLC-UHFFFAOYSA-N
XLogP2.16
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 105482527
8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 46735922
8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 69192315
methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 143296449
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 4777842
9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197084
2-(2-aminoethoxy)-6,7,8,9-tetrahydro-5H-carbazol-3-amine
CID 141006422
6-bromo-2,3-dihydro-1H-isoindol-5-amine
CID 54593310
4,7-dioxa-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene
CID 82495080
9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136926
5-chloro-8,11,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,5,7,9,12(17)-hexaene
CID 19841388
6-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 59436669

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine?
The IUPAC name of 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine (CID 82379783) is 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine?
The canonical SMILES for 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine is Nc1cc2c3c([nH]c2cc1Br)CCNC3.
What is the InChIKey of 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine?
The InChIKey is SVIIKSTXSKELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-8-4-11-6(3-9(8)13)7-5-14-2-1-10(7)15-11/h3-4,14-15H,1-2,5,13H2.
What are the key properties of 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine?
7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine has a molecular weight of 266.14 g/mol, XLogP of 2.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 82379783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).