2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine

C16H11BrClNO2S — CID 14673611

IUPAC2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine
SMILESClc1ccc(Oc2ccc(OCc3ccc(Br)s3)cc2)nc1
InChIInChI=1S/C16H11BrClNO2S/c17-15-7-6-14(22-15)10-20-12-2-4-13(5-3-12)21-16-8-1-11(18)9-19-16/h1-9H,10H2
InChIKeyJBLLNAVRAZKDAC-UHFFFAOYSA-N
MW396.69 g/mol
LogP5.93
Rot. Bonds5

About 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine

2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine (PubChem CID 14673611) has the molecular formula C16H11BrClNO2S and a molecular weight of 396.69 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine
PubChem CID14673611
Molecular FormulaC16H11BrClNO2S
Molecular Weight396.69 g/mol
Exact Mass394.94
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine
SMILESClc1ccc(Oc2ccc(OCc3ccc(Br)s3)cc2)nc1
InChIInChI=1S/C16H11BrClNO2S/c17-15-7-6-14(22-15)10-20-12-2-4-13(5-3-12)21-16-8-1-11(18)9-19-16/h1-9H,10H2
InChIKeyJBLLNAVRAZKDAC-UHFFFAOYSA-N
XLogP5.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine (CID 14673611) is 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine is Clc1ccc(Oc2ccc(OCc3ccc(Br)s3)cc2)nc1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine?
The InChIKey is JBLLNAVRAZKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2S/c17-15-7-6-14(22-15)10-20-12-2-4-13(5-3-12)21-16-8-1-11(18)9-19-16/h1-9H,10H2.
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine?
2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine has a molecular weight of 396.69 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-2-yl)methoxy]phenoxy]-5-chloropyridine is sourced from PubChem (CID 14673611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).