1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol

C21H19Br2N3O2 — CID 71254089

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
SMILESCOc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C21H19Br2N3O2/c1-28-21-4-2-3-20(25-21)24-11-15(27)12-26-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)26/h2-10,15,27H,11-12H2,1H3,(H,24,25)
InChIKeyXXXLYGPPIIWBNY-UHFFFAOYSA-N
MW505.21 g/mol
LogP5.20
Rot. Bonds6

About 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol (PubChem CID 71254089) has the molecular formula C21H19Br2N3O2 and a molecular weight of 505.21 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
PubChem CID71254089
Molecular FormulaC21H19Br2N3O2
Molecular Weight505.21 g/mol
Exact Mass502.98
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
SMILESCOc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C21H19Br2N3O2/c1-28-21-4-2-3-20(25-21)24-11-15(27)12-26-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)26/h2-10,15,27H,11-12H2,1H3,(H,24,25)
InChIKeyXXXLYGPPIIWBNY-UHFFFAOYSA-N
XLogP5.20
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.21
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol (CID 71254089) is 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol is COc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol?
The InChIKey is XXXLYGPPIIWBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2N3O2/c1-28-21-4-2-3-20(25-21)24-11-15(27)12-26-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)26/h2-10,15,27H,11-12H2,1H3,(H,24,25).
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol has a molecular weight of 505.21 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 71254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).