4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole

C12H8Cl2N4S — CID 171782732

IUPAC4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
SMILESCn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3
InChIKeyNYXOLCYSFALQCV-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole

4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole (PubChem CID 171782732) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole.

Molecular Properties

Compound Name4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
PubChem CID171782732
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
SMILESCn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3
InChIKeyNYXOLCYSFALQCV-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The IUPAC name of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole (CID 171782732) is 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole.
What is the SMILES notation for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The canonical SMILES for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole is Cn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1.
What is the InChIKey of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The InChIKey is NYXOLCYSFALQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3.
What are the key properties of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole has a molecular weight of 311.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole is sourced from PubChem (CID 171782732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).