2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine

C11H10BrN3S — CID 83270139

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
SMILESCc1cnc(Sc2ccc(Br)cn2)cc1N
InChIInChI=1S/C11H10BrN3S/c1-7-5-14-11(4-9(7)13)16-10-3-2-8(12)6-15-10/h2-6H,1H3,(H2,13,14)
InChIKeySZSBYLLKBYEWHX-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.28
Rot. Bonds2

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine

2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine (PubChem CID 83270139) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
PubChem CID83270139
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
SMILESCc1cnc(Sc2ccc(Br)cn2)cc1N
InChIInChI=1S/C11H10BrN3S/c1-7-5-14-11(4-9(7)13)16-10-3-2-8(12)6-15-10/h2-6H,1H3,(H2,13,14)
InChIKeySZSBYLLKBYEWHX-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine (CID 83270139) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine is Cc1cnc(Sc2ccc(Br)cn2)cc1N.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine?
The InChIKey is SZSBYLLKBYEWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c1-7-5-14-11(4-9(7)13)16-10-3-2-8(12)6-15-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine has a molecular weight of 296.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine is sourced from PubChem (CID 83270139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).