3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole

C20H16N2S — CID 138963070

IUPAC3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESCc1c(Sc2ccccc2)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C20H16N2S/c1-15-17-11-5-6-12-18(17)22(19-13-7-8-14-21-19)20(15)23-16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyTVLPYPUAVNZYHE-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.49
Rot. Bonds3

About 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole

3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole (PubChem CID 138963070) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
PubChem CID138963070
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESCc1c(Sc2ccccc2)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C20H16N2S/c1-15-17-11-5-6-12-18(17)22(19-13-7-8-14-21-19)20(15)23-16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyTVLPYPUAVNZYHE-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-[2-(3-methyl-1-pyridin-2-ylindol-2-yl)ethyl]silane
CID 71654105
2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
CID 177434344
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906146
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
4-methyl-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58121833
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
4-methoxy-2-methyl-1-pyridin-2-ylindole
CID 170694384
2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
CID 171481611
5-(6-phenyl-4-pyridin-2-yl-2-pyridinyl)-7-pyridin-2-ylindolo[2,3-b]carbazole
CID 156769318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The IUPAC name of 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole (CID 138963070) is 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole.
What is the SMILES notation for 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The canonical SMILES for 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole is Cc1c(Sc2ccccc2)n(-c2ccccn2)c2ccccc12.
What is the InChIKey of 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The InChIKey is TVLPYPUAVNZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-15-17-11-5-6-12-18(17)22(19-13-7-8-14-21-19)20(15)23-16-9-3-2-4-10-16/h2-14H,1H3.
What are the key properties of 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole has a molecular weight of 316.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole is sourced from PubChem (CID 138963070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).