4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine

C16H17Br2NO2 — CID 60891685

IUPAC4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
SMILESCCOc1cc(CBr)cc(Br)c1OCCc1ccncc1
InChIInChI=1S/C16H17Br2NO2/c1-2-20-15-10-13(11-17)9-14(18)16(15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3
InChIKeyJOCQIRAGVLRCHQ-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.76
Rot. Bonds7

About 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine

4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine (PubChem CID 60891685) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
PubChem CID60891685
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
SMILESCCOc1cc(CBr)cc(Br)c1OCCc1ccncc1
InChIInChI=1S/C16H17Br2NO2/c1-2-20-15-10-13(11-17)9-14(18)16(15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3
InChIKeyJOCQIRAGVLRCHQ-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891684
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757
1-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292852
5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003767
[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
CID 103003506
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292876

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine?
The IUPAC name of 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine (CID 60891685) is 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine.
What is the SMILES notation for 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine?
The canonical SMILES for 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine is CCOc1cc(CBr)cc(Br)c1OCCc1ccncc1.
What is the InChIKey of 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine?
The InChIKey is JOCQIRAGVLRCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-2-20-15-10-13(11-17)9-14(18)16(15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,9-10H,2,5,8,11H2,1H3.
What are the key properties of 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine?
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine has a molecular weight of 415.13 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine is sourced from PubChem (CID 60891685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).