4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one

C11H7BrN2O — CID 178165297

IUPAC4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESO=c1[nH]cc(Br)c2c1[nH]c1ccccc12
InChIInChI=1S/C11H7BrN2O/c12-7-5-13-11(15)10-9(7)6-3-1-2-4-8(6)14-10/h1-5,14H,(H,13,15)
InChIKeyKBYBNXUZYQBVEG-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one

4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one (PubChem CID 178165297) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
PubChem CID178165297
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESO=c1[nH]cc(Br)c2c1[nH]c1ccccc12
InChIInChI=1S/C11H7BrN2O/c12-7-5-13-11(15)10-9(7)6-3-1-2-4-8(6)14-10/h1-5,14H,(H,13,15)
InChIKeyKBYBNXUZYQBVEG-UHFFFAOYSA-N
XLogP2.77
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316028
4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
CID 10086414
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316038
7-bromo-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14,16,18-octaen-12-one
CID 155137725
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
CID 139599899
1-bromo-4-phenyl-9H-carbazole
CID 152676128

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one (CID 178165297) is 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one is O=c1[nH]cc(Br)c2c1[nH]c1ccccc12.
What is the InChIKey of 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is KBYBNXUZYQBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-7-5-13-11(15)10-9(7)6-3-1-2-4-8(6)14-10/h1-5,14H,(H,13,15).
What are the key properties of 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one?
4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 263.09 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 178165297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).