4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline

C16H15ClN2 — CID 141377182

IUPAC4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1C#Cc1cncc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-12-8-16(19(2)3)7-6-14(12)5-4-13-9-15(17)11-18-10-13/h6-11H,1-3H3
InChIKeyFWMYKGNUIJALPL-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.51
Rot. Bonds1

About 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline

4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline (PubChem CID 141377182) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline
PubChem CID141377182
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1C#Cc1cncc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-12-8-16(19(2)3)7-6-14(12)5-4-13-9-15(17)11-18-10-13/h6-11H,1-3H3
InChIKeyFWMYKGNUIJALPL-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.51
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

5-[2-(5-chloro-3-pyridinyl)ethynyl]-2-fluorobenzonitrile
CID 67047901
5-[2-(5-chloro-3-pyridinyl)ethynyl]pyridine-2-carboxylic acid
CID 70896540
3-(5-chloro-3-pyridinyl)prop-2-ynoic acid
CID 130681754
3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 67047870
N,N,3,4-tetramethylaniline
CID 12595466
4-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]naphthalen-1-yl]ethynyl]-N,N-dimethylaniline
CID 131997733
3-chloro-N,N,4-trimethylaniline
CID 12637287
5-chloropyridine-3-carbonitrile
CID 12645070
2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
CID 23500886
3,5-dichloropyridine;ethane
CID 142010125
3-[2-[2-[2-[3-(dimethylamino)phenyl]ethynyl]phenyl]ethynyl]-N,N-dimethylaniline
CID 177419509
4-chloro-1-(3-chloro-3-methylbut-1-ynyl)-2-methylbenzene
CID 130055932

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline?
The IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline (CID 141377182) is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline.
What is the SMILES notation for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline?
The canonical SMILES for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1C#Cc1cncc(Cl)c1.
What is the InChIKey of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline?
The InChIKey is FWMYKGNUIJALPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-12-8-16(19(2)3)7-6-14(12)5-4-13-9-15(17)11-18-10-13/h6-11H,1-3H3.
What are the key properties of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline?
4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline has a molecular weight of 270.76 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-N,N,3-trimethylaniline is sourced from PubChem (CID 141377182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).