3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine

C13H10BrCl2NO — CID 141396943

IUPAC3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
SMILESC[C@@H](Oc1cncc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c1-8(13-11(15)3-2-4-12(13)16)18-10-5-9(14)6-17-7-10/h2-8H,1H3/t8-/m1/s1
InChIKeyVNAXDRANVKBSHT-MRVPVSSYSA-N
MW347.04 g/mol
LogP5.29
Rot. Bonds3

About 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine

3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine (PubChem CID 141396943) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
PubChem CID141396943
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
SMILESC[C@@H](Oc1cncc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c1-8(13-11(15)3-2-4-12(13)16)18-10-5-9(14)6-17-7-10/h2-8H,1H3/t8-/m1/s1
InChIKeyVNAXDRANVKBSHT-MRVPVSSYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.04
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine
CID 118249390
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
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3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406
(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
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(2R)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933138
3-bromo-5-(1-ethoxypropan-2-yloxy)pyridine
CID 103488077
methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044
3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
CID 104835429
(5-bromo-3-pyridinyl) 3-(4-chlorophenyl)-2-methylbutanoate
CID 174724919
2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
CID 129319703
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine?
The IUPAC name of 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine (CID 141396943) is 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine is C[C@@H](Oc1cncc(Br)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine?
The InChIKey is VNAXDRANVKBSHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-8(13-11(15)3-2-4-12(13)16)18-10-5-9(14)6-17-7-10/h2-8H,1H3/t8-/m1/s1.
What are the key properties of 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine?
3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine has a molecular weight of 347.04 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine is sourced from PubChem (CID 141396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).