2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol

C15H7Br4NO — CID 166440517

IUPAC2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol
SMILESOc1c(Br)cc(Br)c(-c2cc(Br)cc3cccnc23)c1Br
InChIInChI=1S/C15H7Br4NO/c16-8-4-7-2-1-3-20-14(7)9(5-8)12-10(17)6-11(18)15(21)13(12)19/h1-6,21H
InChIKeyWHHMYSMTQFSWRF-UHFFFAOYSA-N
MW536.84 g/mol
LogP6.66
Rot. Bonds1

About 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol

2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol (PubChem CID 166440517) has the molecular formula C15H7Br4NO and a molecular weight of 536.84 g/mol. Its IUPAC name is 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol
PubChem CID166440517
Molecular FormulaC15H7Br4NO
Molecular Weight536.84 g/mol
Exact Mass532.73
IUPAC Name2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol
SMILESOc1c(Br)cc(Br)c(-c2cc(Br)cc3cccnc23)c1Br
InChIInChI=1S/C15H7Br4NO/c16-8-4-7-2-1-3-20-14(7)9(5-8)12-10(17)6-11(18)15(21)13(12)19/h1-6,21H
InChIKeyWHHMYSMTQFSWRF-UHFFFAOYSA-N
XLogP6.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.84
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
9,14-dibromo-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 141295302
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
2-(6-bromoquinolin-8-yl)acetonitrile
CID 54593004
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085
5,7-dibromoquinolin-8-ol;1H-quinolin-2-one
CID 158836094

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol?
The IUPAC name of 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol (CID 166440517) is 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol.
What is the SMILES notation for 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol?
The canonical SMILES for 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol is Oc1c(Br)cc(Br)c(-c2cc(Br)cc3cccnc23)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol?
The InChIKey is WHHMYSMTQFSWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br4NO/c16-8-4-7-2-1-3-20-14(7)9(5-8)12-10(17)6-11(18)15(21)13(12)19/h1-6,21H.
What are the key properties of 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol?
2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol has a molecular weight of 536.84 g/mol, XLogP of 6.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-(6-bromoquinolin-8-yl)phenol is sourced from PubChem (CID 166440517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).