6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine

C7H8BrFN2S — CID 135318111

IUPAC6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine
SMILESCSCc1cc(F)c(Br)nc1N
InChIInChI=1S/C7H8BrFN2S/c1-12-3-4-2-5(9)6(8)11-7(4)10/h2H,3H2,1H3,(H2,10,11)
InChIKeyVLJFWVFAKFHIDK-UHFFFAOYSA-N
MW251.12 g/mol
LogP2.43
Rot. Bonds2

About 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine

6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine (PubChem CID 135318111) has the molecular formula C7H8BrFN2S and a molecular weight of 251.12 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine
PubChem CID135318111
Molecular FormulaC7H8BrFN2S
Molecular Weight251.12 g/mol
Exact Mass249.96
IUPAC Name6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine
SMILESCSCc1cc(F)c(Br)nc1N
InChIInChI=1S/C7H8BrFN2S/c1-12-3-4-2-5(9)6(8)11-7(4)10/h2H,3H2,1H3,(H2,10,11)
InChIKeyVLJFWVFAKFHIDK-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine (CID 135318111) is 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine is CSCc1cc(F)c(Br)nc1N.
What is the InChIKey of 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine?
The InChIKey is VLJFWVFAKFHIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2S/c1-12-3-4-2-5(9)6(8)11-7(4)10/h2H,3H2,1H3,(H2,10,11).
What are the key properties of 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine?
6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine has a molecular weight of 251.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 135318111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).