3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole

C22H19Br2FN2O — CID 158092978

IUPAC3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole
SMILESCOc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C22H19Br2FN2O/c1-28-22-4-2-3-17(26-22)8-7-16(25)13-27-20-9-5-14(23)11-18(20)19-12-15(24)6-10-21(19)27/h2-6,9-12,16H,7-8,13H2,1H3
InChIKeyKRZCJVZPOZEVAV-UHFFFAOYSA-N
MW506.21 g/mol
LogP6.69
Rot. Bonds6

About 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole

3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole (PubChem CID 158092978) has the molecular formula C22H19Br2FN2O and a molecular weight of 506.21 g/mol. Its IUPAC name is 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole
PubChem CID158092978
Molecular FormulaC22H19Br2FN2O
Molecular Weight506.21 g/mol
Exact Mass503.98
IUPAC Name3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole
SMILESCOc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1
InChIInChI=1S/C22H19Br2FN2O/c1-28-22-4-2-3-17(26-22)8-7-16(25)13-27-20-9-5-14(23)11-18(20)19-12-15(24)6-10-21(19)27/h2-6,9-12,16H,7-8,13H2,1H3
InChIKeyKRZCJVZPOZEVAV-UHFFFAOYSA-N
XLogP6.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.21
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
CID 71254229
CID 88582392
CID 88582392
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
CID 122548401
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
CID 71254089
N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane
CID 144579386
3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
CID 52916775
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
N-[3-(3,6-dimethylcarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine
CID 123887437
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
3-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]sulfonylphenol
CID 58065861
(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole (CID 158092978) is 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole is COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1.
What is the InChIKey of 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole?
The InChIKey is KRZCJVZPOZEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2FN2O/c1-28-22-4-2-3-17(26-22)8-7-16(25)13-27-20-9-5-14(23)11-18(20)19-12-15(24)6-10-21(19)27/h2-6,9-12,16H,7-8,13H2,1H3.
What are the key properties of 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole?
3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole has a molecular weight of 506.21 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole is sourced from PubChem (CID 158092978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).