2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine

C16H12BrNOS — CID 58657247

IUPAC2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine
SMILESBrc1ccc(-c2cccc(OCc3ccccc3)n2)s1
InChIInChI=1S/C16H12BrNOS/c17-15-10-9-14(20-15)13-7-4-8-16(18-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeySMGKTSYWYDWQJU-UHFFFAOYSA-N
MW346.25 g/mol
LogP5.15
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine

2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine (PubChem CID 58657247) has the molecular formula C16H12BrNOS and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine
PubChem CID58657247
Molecular FormulaC16H12BrNOS
Molecular Weight346.25 g/mol
Exact Mass344.98
IUPAC Name2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine
SMILESBrc1ccc(-c2cccc(OCc3ccccc3)n2)s1
InChIInChI=1S/C16H12BrNOS/c17-15-10-9-14(20-15)13-7-4-8-16(18-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeySMGKTSYWYDWQJU-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.25
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine (CID 58657247) is 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine is Brc1ccc(-c2cccc(OCc3ccccc3)n2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine?
The InChIKey is SMGKTSYWYDWQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNOS/c17-15-10-9-14(20-15)13-7-4-8-16(18-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine?
2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine has a molecular weight of 346.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine is sourced from PubChem (CID 58657247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).