5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

C11H16ClFN2S — CID 112551382

IUPAC5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2S/c1-4-9(7-16-3)15(2)11-10(13)5-8(12)6-14-11/h5-6,9H,4,7H2,1-3H3
InChIKeyIXCONQLZNQTRQL-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 112551382) has the molecular formula C11H16ClFN2S and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID112551382
Molecular FormulaC11H16ClFN2S
Molecular Weight262.78 g/mol
Exact Mass262.07
IUPAC Name5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2S/c1-4-9(7-16-3)15(2)11-10(13)5-8(12)6-14-11/h5-6,9H,4,7H2,1-3H3
InChIKeyIXCONQLZNQTRQL-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 112551382) is 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is CCC(CSC)N(C)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is IXCONQLZNQTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2S/c1-4-9(7-16-3)15(2)11-10(13)5-8(12)6-14-11/h5-6,9H,4,7H2,1-3H3.
What are the key properties of 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 262.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 112551382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).