2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine

C12H12BrNOS — CID 55206860

IUPAC2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
SMILESBrc1ccc(COCCc2ccccn2)s1
InChIInChI=1S/C12H12BrNOS/c13-12-5-4-11(16-12)9-15-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2
InChIKeyNZNPNTRBAAKSTD-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.66
Rot. Bonds5

About 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine

2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine (PubChem CID 55206860) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
PubChem CID55206860
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
SMILESBrc1ccc(COCCc2ccccn2)s1
InChIInChI=1S/C12H12BrNOS/c13-12-5-4-11(16-12)9-15-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2
InChIKeyNZNPNTRBAAKSTD-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
CID 62620028
2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
CID 112588661
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80720105
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine (CID 55206860) is 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine is Brc1ccc(COCCc2ccccn2)s1.
What is the InChIKey of 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine?
The InChIKey is NZNPNTRBAAKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-12-5-4-11(16-12)9-15-8-6-10-3-1-2-7-14-10/h1-5,7H,6,8-9H2.
What are the key properties of 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine?
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine has a molecular weight of 298.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine is sourced from PubChem (CID 55206860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).