3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine

C9H12BrClN2S — CID 114836097

IUPAC3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
SMILESCSC(C)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN2S/c1-6(14-2)4-12-9-8(10)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyDPHNOIXRBRJKBO-UHFFFAOYSA-N
MW295.63 g/mol
LogP3.66
Rot. Bonds4

About 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine

3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine (PubChem CID 114836097) has the molecular formula C9H12BrClN2S and a molecular weight of 295.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
PubChem CID114836097
Molecular FormulaC9H12BrClN2S
Molecular Weight295.63 g/mol
Exact Mass293.96
IUPAC Name3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine
SMILESCSC(C)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN2S/c1-6(14-2)4-12-9-8(10)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3,(H,12,13)
InChIKeyDPHNOIXRBRJKBO-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.63
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine (CID 114836097) is 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine is CSC(C)CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The InChIKey is DPHNOIXRBRJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2S/c1-6(14-2)4-12-9-8(10)3-7(11)5-13-9/h3,5-6H,4H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine?
3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine has a molecular weight of 295.63 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-methylsulfanylpropyl)pyridin-2-amine is sourced from PubChem (CID 114836097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).