3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite

C15H20BBr2ClN2O3S — CID 161489355

IUPAC3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite
SMILESCCc1cnc(OC)c(Br)c1.COc1ncc(CO)cc1Br.[2H]B([3H])SCl
InChIInChI=1S/C8H10BrNO.C7H8BrNO2.BClH2S/c1-3-6-4-7(9)8(11-2)10-5-6;1-11-7-6(8)2-5(4-10)3-9-7;1-3-2/h4-5H,3H2,1-2H3;2-3,10H,4H2,1H3;1H2/i;;1TD
InChIKeyWFKAELXWRLKUCE-YLOYXDOWSA-N
MW517.49 g/mol
LogP4.18
Rot. Bonds5

About 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite

3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite (PubChem CID 161489355) has the molecular formula C15H20BBr2ClN2O3S and a molecular weight of 517.49 g/mol. Its IUPAC name is 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite.

Molecular Properties

Compound Name3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite
PubChem CID161489355
Molecular FormulaC15H20BBr2ClN2O3S
Molecular Weight517.49 g/mol
Exact Mass514.95
IUPAC Name3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite
SMILESCCc1cnc(OC)c(Br)c1.COc1ncc(CO)cc1Br.[2H]B([3H])SCl
InChIInChI=1S/C8H10BrNO.C7H8BrNO2.BClH2S/c1-3-6-4-7(9)8(11-2)10-5-6;1-11-7-6(8)2-5(4-10)3-9-7;1-3-2/h4-5H,3H2,1-2H3;2-3,10H,4H2,1H3;1H2/i;;1TD
InChIKeyWFKAELXWRLKUCE-YLOYXDOWSA-N
XLogP4.18
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698
[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
CID 67509343
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
CID 164890892
(6-amino-5-bromo-3-pyridinyl)methanol
CID 67263286
(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074
5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine
CID 86761428
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite?
The IUPAC name of 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite (CID 161489355) is 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite.
What is the SMILES notation for 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite?
The canonical SMILES for 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite is CCc1cnc(OC)c(Br)c1.COc1ncc(CO)cc1Br.[2H]B([3H])SCl.
What is the InChIKey of 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite?
The InChIKey is WFKAELXWRLKUCE-YLOYXDOWSA-N. The full InChI is InChI=1S/C8H10BrNO.C7H8BrNO2.BClH2S/c1-3-6-4-7(9)8(11-2)10-5-6;1-11-7-6(8)2-5(4-10)3-9-7;1-3-2/h4-5H,3H2,1-2H3;2-3,10H,4H2,1H3;1H2/i;;1TD.
What are the key properties of 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite?
3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite has a molecular weight of 517.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite is sourced from PubChem (CID 161489355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).