4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine

C14H16ClNS — CID 79975626

IUPAC4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine
SMILESCCc1ccsc1C(Cl)C(C)c1ccncc1
InChIInChI=1S/C14H16ClNS/c1-3-11-6-9-17-14(11)13(15)10(2)12-4-7-16-8-5-12/h4-10,13H,3H2,1-2H3
InChIKeyGULOTTQZZUQSGJ-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.79
Rot. Bonds4

About 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine

4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine (PubChem CID 79975626) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine
PubChem CID79975626
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine
SMILESCCc1ccsc1C(Cl)C(C)c1ccncc1
InChIInChI=1S/C14H16ClNS/c1-3-11-6-9-17-14(11)13(15)10(2)12-4-7-16-8-5-12/h4-10,13H,3H2,1-2H3
InChIKeyGULOTTQZZUQSGJ-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine (CID 79975626) is 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine is CCc1ccsc1C(Cl)C(C)c1ccncc1.
What is the InChIKey of 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine?
The InChIKey is GULOTTQZZUQSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-3-11-6-9-17-14(11)13(15)10(2)12-4-7-16-8-5-12/h4-10,13H,3H2,1-2H3.
What are the key properties of 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine?
4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine has a molecular weight of 265.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine is sourced from PubChem (CID 79975626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).