4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine

C15H14ClNS — CID 167639187

IUPAC4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine
SMILESCC(C)(C)c1cc(C#Cc2ccncc2)c(Cl)s1
InChIInChI=1S/C15H14ClNS/c1-15(2,3)13-10-12(14(16)18-13)5-4-11-6-8-17-9-7-11/h6-10H,1-3H3
InChIKeyKKKDZFMQTXIXTC-UHFFFAOYSA-N
MW275.80 g/mol
LogP4.49
Rot. Bonds

About 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine

4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine (PubChem CID 167639187) has the molecular formula C15H14ClNS and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine
PubChem CID167639187
Molecular FormulaC15H14ClNS
Molecular Weight275.80 g/mol
Exact Mass275.05
IUPAC Name4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine
SMILESCC(C)(C)c1cc(C#Cc2ccncc2)c(Cl)s1
InChIInChI=1S/C15H14ClNS/c1-15(2,3)13-10-12(14(16)18-13)5-4-11-6-8-17-9-7-11/h6-10H,1-3H3
InChIKeyKKKDZFMQTXIXTC-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine
CID 153398163
5-tert-butyl-2-chloro-3-[2-(3-methylphenyl)ethynyl]thiophene
CID 153398149
5-tert-butyl-2-chloro-3-[2-(3-methoxyphenyl)ethynyl]thiophene
CID 166024020
3-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]-N,N-dimethylbenzamide
CID 166024281
4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]-4H-imidazole
CID 166024148
4-[3-(5-tert-butyl-2-chlorothiophen-3-yl)azetidin-1-yl]pyridine
CID 166024097
4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 15900073
1,5-dipyridin-4-ylpenta-1,4-diyn-3-one
CID 143015613
3-bromo-5-[2-(4-tert-butylphenyl)ethynyl]-2,6-dichloropyridine
CID 132500605
ditert-butyl 3,6-bis(2-pyridin-4-ylethynyl)benzene-1,2-dicarboxylate
CID 102527258
2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
4-[2-(2-bromophenyl)ethynyl]pyridine
CID 131366975

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine?
The IUPAC name of 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine (CID 167639187) is 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine.
What is the SMILES notation for 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine?
The canonical SMILES for 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine is CC(C)(C)c1cc(C#Cc2ccncc2)c(Cl)s1.
What is the InChIKey of 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine?
The InChIKey is KKKDZFMQTXIXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNS/c1-15(2,3)13-10-12(14(16)18-13)5-4-11-6-8-17-9-7-11/h6-10H,1-3H3.
What are the key properties of 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine?
4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine has a molecular weight of 275.80 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]pyridine is sourced from PubChem (CID 167639187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).