5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole

C22H15ClN2 — CID 132991870

IUPAC5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
SMILESCc1cccc(-n2c(C#Cc3ccccc3)cc3cc(Cl)ccc32)n1
InChIInChI=1S/C22H15ClN2/c1-16-6-5-9-22(24-16)25-20(12-10-17-7-3-2-4-8-17)15-18-14-19(23)11-13-21(18)25/h2-9,11,13-15H,1H3
InChIKeyNIQLNLCMWKMZAF-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.39
Rot. Bonds1

About 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole

5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole (PubChem CID 132991870) has the molecular formula C22H15ClN2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole.

Molecular Properties

Compound Name5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
PubChem CID132991870
Molecular FormulaC22H15ClN2
Molecular Weight342.83 g/mol
Exact Mass342.09
IUPAC Name5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
SMILESCc1cccc(-n2c(C#Cc3ccccc3)cc3cc(Cl)ccc32)n1
InChIInChI=1S/C22H15ClN2/c1-16-6-5-9-22(24-16)25-20(12-10-17-7-3-2-4-8-17)15-18-14-19(23)11-13-21(18)25/h2-9,11,13-15H,1H3
InChIKeyNIQLNLCMWKMZAF-UHFFFAOYSA-N
XLogP5.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.39
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-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole
CID 132991869
5-chloro-2-[2-(4-methylphenyl)ethynyl]-1-(2-nitrophenyl)indole
CID 162405953
2-(2,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 1366169
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
6-fluoro-1-(4-methylphenyl)-2-(2-phenylethynyl)indole
CID 135017017
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
CID 140967702
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
6-fluoro-1-phenyl-2-(2-phenylethynyl)indole
CID 135017015
4-chloro-1-methoxy-2-(2-phenylethynyl)benzene
CID 72711446
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
2,10-dimethylazecine
CID 126659012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The IUPAC name of 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole (CID 132991870) is 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole.
What is the SMILES notation for 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The canonical SMILES for 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole is Cc1cccc(-n2c(C#Cc3ccccc3)cc3cc(Cl)ccc32)n1.
What is the InChIKey of 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
The InChIKey is NIQLNLCMWKMZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2/c1-16-6-5-9-22(24-16)25-20(12-10-17-7-3-2-4-8-17)15-18-14-19(23)11-13-21(18)25/h2-9,11,13-15H,1H3.
What are the key properties of 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole?
5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole has a molecular weight of 342.83 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-methyl-2-pyridinyl)-2-(2-phenylethynyl)indole is sourced from PubChem (CID 132991870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).