6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine

C26H19Br2NO2 — CID 157293839

IUPAC6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
SMILESBrc1ccc2cc(OCc3ccccn3)ccc2c1.Oc1cccc2cc(Br)ccc12
InChIInChI=1S/C16H12BrNO.C10H7BrO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-10H,11H2;1-6,12H
InChIKeyBBCNGPFDWFAWQK-UHFFFAOYSA-N
MW537.25 g/mol
LogP7.88
Rot. Bonds3

About 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine

6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine (PubChem CID 157293839) has the molecular formula C26H19Br2NO2 and a molecular weight of 537.25 g/mol. Its IUPAC name is 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
PubChem CID157293839
Molecular FormulaC26H19Br2NO2
Molecular Weight537.25 g/mol
Exact Mass534.98
IUPAC Name6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
SMILESBrc1ccc2cc(OCc3ccccn3)ccc2c1.Oc1cccc2cc(Br)ccc12
InChIInChI=1S/C16H12BrNO.C10H7BrO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-10H,11H2;1-6,12H
InChIKeyBBCNGPFDWFAWQK-UHFFFAOYSA-N
XLogP7.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.25
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
2-bromo-6-phenylmethoxynaphthalene
CID 640595
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
CID 54942438
6-pentoxynaphthalen-1-ol
CID 22144289
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine
CID 54027272

Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
The IUPAC name of 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine (CID 157293839) is 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
The canonical SMILES for 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine is Brc1ccc2cc(OCc3ccccn3)ccc2c1.Oc1cccc2cc(Br)ccc12.
What is the InChIKey of 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
The InChIKey is BBCNGPFDWFAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO.C10H7BrO/c17-14-6-4-13-10-16(7-5-12(13)9-14)19-11-15-3-1-2-8-18-15;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-10H,11H2;1-6,12H.
What are the key properties of 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine?
6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine has a molecular weight of 537.25 g/mol, XLogP of 7.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 157293839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).