4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine

C10H8ClFN4S — CID 103553904

IUPAC4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine
SMILESNc1cc(N)c(Sc2cnccn2)c(F)c1Cl
InChIInChI=1S/C10H8ClFN4S/c11-8-5(13)3-6(14)10(9(8)12)17-7-4-15-1-2-16-7/h1-4H,13-14H2
InChIKeyQTOURFHWUSEVBD-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine

4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine (PubChem CID 103553904) has the molecular formula C10H8ClFN4S and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine
PubChem CID103553904
Molecular FormulaC10H8ClFN4S
Molecular Weight270.72 g/mol
Exact Mass270.01
IUPAC Name4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine
SMILESNc1cc(N)c(Sc2cnccn2)c(F)c1Cl
InChIInChI=1S/C10H8ClFN4S/c11-8-5(13)3-6(14)10(9(8)12)17-7-4-15-1-2-16-7/h1-4H,13-14H2
InChIKeyQTOURFHWUSEVBD-UHFFFAOYSA-N
XLogP2.58
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine
CID 103553925
5-bromo-4-fluoro-2-pyrazin-2-ylsulfanylaniline
CID 66110599
3-fluoro-5-pyrazin-2-ylsulfanylaniline
CID 63380979
4-chloro-6-(3,4-difluorophenyl)sulfanyl-5-fluorobenzene-1,3-diamine
CID 103553867
4-chloro-5-fluoro-6-propan-2-ylsulfanylbenzene-1,3-diamine
CID 103553880
2-chloro-3-pyrazin-2-ylsulfanylpyrazine
CID 63380670
5-pyrazin-2-ylsulfanylpyrazin-2-amine
CID 80664326
4-chloro-5-fluoro-6-pentylsulfanylbenzene-1,3-diamine
CID 107747792
4-chloro-5-fluoro-6-(3-methylbutan-2-ylsulfanyl)benzene-1,3-diamine
CID 107747951
4-butan-2-ylsulfanyl-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553859
4-pyrazin-2-ylsulfanyl-1H-pyrazol-5-amine
CID 78943749
2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine
CID 55249867

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine (CID 103553904) is 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine is Nc1cc(N)c(Sc2cnccn2)c(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine?
The InChIKey is QTOURFHWUSEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4S/c11-8-5(13)3-6(14)10(9(8)12)17-7-4-15-1-2-16-7/h1-4H,13-14H2.
What are the key properties of 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine?
4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine has a molecular weight of 270.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine is sourced from PubChem (CID 103553904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).