2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine

C16H12ClNOS — CID 51353922

IUPAC2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccnc(Cl)c3)s2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-13-4-2-11(3-5-13)14-6-7-15(20-14)12-8-9-18-16(17)10-12/h2-10H,1H3
InChIKeyLRFWMLIFKIAIHY-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

About 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine

2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine (PubChem CID 51353922) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
PubChem CID51353922
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccnc(Cl)c3)s2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-13-4-2-11(3-5-13)14-6-7-15(20-14)12-8-9-18-16(17)10-12/h2-10H,1H3
InChIKeyLRFWMLIFKIAIHY-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The IUPAC name of 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine (CID 51353922) is 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine is COc1ccc(-c2ccc(-c3ccnc(Cl)c3)s2)cc1.
What is the InChIKey of 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The InChIKey is LRFWMLIFKIAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-13-4-2-11(3-5-13)14-6-7-15(20-14)12-8-9-18-16(17)10-12/h2-10H,1H3.
What are the key properties of 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine has a molecular weight of 301.80 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 51353922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).