5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine

C9H6Cl2N4S — CID 142433860

IUPAC5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine
SMILESNc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1
InChIInChI=1S/C9H6Cl2N4S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H,(H2,12,14)
InChIKeyOQKRZSVJFUWEOV-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.91
Rot. Bonds2

About 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine

5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine (PubChem CID 142433860) has the molecular formula C9H6Cl2N4S and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine
PubChem CID142433860
Molecular FormulaC9H6Cl2N4S
Molecular Weight273.15 g/mol
Exact Mass271.97
IUPAC Name5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine
SMILESNc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1
InChIInChI=1S/C9H6Cl2N4S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H,(H2,12,14)
InChIKeyOQKRZSVJFUWEOV-UHFFFAOYSA-N
XLogP2.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine (CID 142433860) is 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine is Nc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine?
The InChIKey is OQKRZSVJFUWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H,(H2,12,14).
What are the key properties of 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine?
5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine has a molecular weight of 273.15 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine is sourced from PubChem (CID 142433860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).