3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine

C19H24BrNO3 — CID 165127705

IUPAC3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine
SMILESC[C@H](COCCOCCc1cncc(Br)c1)OCc1ccccc1
InChIInChI=1S/C19H24BrNO3/c1-16(24-15-17-5-3-2-4-6-17)14-23-10-9-22-8-7-18-11-19(20)13-21-12-18/h2-6,11-13,16H,7-10,14-15H2,1H3/t16-/m1/s1
InChIKeyLAYCTVQBHXSXIB-MRXNPFEDSA-N
MW394.31 g/mol
LogP4.03
Rot. Bonds11

About 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine

3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine (PubChem CID 165127705) has the molecular formula C19H24BrNO3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine
PubChem CID165127705
Molecular FormulaC19H24BrNO3
Molecular Weight394.31 g/mol
Exact Mass393.09
IUPAC Name3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine
SMILESC[C@H](COCCOCCc1cncc(Br)c1)OCc1ccccc1
InChIInChI=1S/C19H24BrNO3/c1-16(24-15-17-5-3-2-4-6-17)14-23-10-9-22-8-7-18-11-19(20)13-21-12-18/h2-6,11-13,16H,7-10,14-15H2,1H3/t16-/m1/s1
InChIKeyLAYCTVQBHXSXIB-MRXNPFEDSA-N
XLogP4.03
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxypropan-2-yloxymethylbenzene
CID 12963722
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
N-methyl-2-(2-phenylmethoxypropoxy)ethanamine
CID 175417034
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
CID 177207439
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane
CID 174203451
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
4-bromo-1-[2-methyl-3-(3-phenylmethoxybutoxy)propyl]pyrazole
CID 174205431
3-bromo-5-phenylmethoxypyridine
CID 15389198
4-bromo-1-[(2R)-1-[(2S)-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]pyrazole
CID 170648527
2-[(2S)-2-phenylmethoxypropoxy]ethyl 4-methylbenzenesulfonate
CID 165127866
4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
CID 113456145

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine?
The IUPAC name of 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine (CID 165127705) is 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine?
The canonical SMILES for 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine is C[C@H](COCCOCCc1cncc(Br)c1)OCc1ccccc1.
What is the InChIKey of 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine?
The InChIKey is LAYCTVQBHXSXIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24BrNO3/c1-16(24-15-17-5-3-2-4-6-17)14-23-10-9-22-8-7-18-11-19(20)13-21-12-18/h2-6,11-13,16H,7-10,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine?
3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine has a molecular weight of 394.31 g/mol, XLogP of 4.03, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine is sourced from PubChem (CID 165127705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).