(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone

C16H13ClN2OS — CID 162662208

IUPAC(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone
SMILESCSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(Cl)n1
InChIInChI=1S/C16H13ClN2OS/c1-19-6-5-10-7-11(3-4-13(10)19)16(20)12-8-14(17)18-15(9-12)21-2/h3-9H,1-2H3
InChIKeyNEARZYXFCPICOG-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.18
Rot. Bonds3

About (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone

(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone (PubChem CID 162662208) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone
PubChem CID162662208
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone
SMILESCSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(Cl)n1
InChIInChI=1S/C16H13ClN2OS/c1-19-6-5-10-7-11(3-4-13(10)19)16(20)12-8-14(17)18-15(9-12)21-2/h3-9H,1-2H3
InChIKeyNEARZYXFCPICOG-UHFFFAOYSA-N
XLogP4.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carboxamide
CID 162644266
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
CID 162646846
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide
CID 162649227
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde
CID 162652396
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carbonitrile
CID 162661902
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole
CID 162666343
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carbaldehyde
CID 162673576
(5-Ethylpyrido[4,3-b]indol-8-yl)-(4-methylsulfonylphenyl)methanone
CID 52915170
N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine
CID 162650831
5-(2-Chloro-6-methylsulfanylpyridine-4-carbonyl)-1-methylindole-3-carbaldehyde
CID 162644113
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carboxylic acid
CID 162669933
5-[2,6-Bis(methylsulfanyl)pyridine-4-carbonyl]-1-methylindole-3-carbaldehyde
CID 162674367

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone (CID 162662208) is (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone is CSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone?
The InChIKey is NEARZYXFCPICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-19-6-5-10-7-11(3-4-13(10)19)16(20)12-8-14(17)18-15(9-12)21-2/h3-9H,1-2H3.
What are the key properties of (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone?
(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone has a molecular weight of 316.81 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 162662208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).