4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine

C11H10BrN3S — CID 79718644

IUPAC4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESCc1cc(Br)cnc1Sc1ccncc1N
InChIInChI=1S/C11H10BrN3S/c1-7-4-8(12)5-15-11(7)16-10-2-3-14-6-9(10)13/h2-6H,13H2,1H3
InChIKeyXRXKSKYRPUKRAV-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.28
Rot. Bonds2

About 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine

4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine (PubChem CID 79718644) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
PubChem CID79718644
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESCc1cc(Br)cnc1Sc1ccncc1N
InChIInChI=1S/C11H10BrN3S/c1-7-4-8(12)5-15-11(7)16-10-2-3-14-6-9(10)13/h2-6H,13H2,1H3
InChIKeyXRXKSKYRPUKRAV-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 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine (CID 79718644) is 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine is Cc1cc(Br)cnc1Sc1ccncc1N.
What is the InChIKey of 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine?
The InChIKey is XRXKSKYRPUKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c1-7-4-8(12)5-15-11(7)16-10-2-3-14-6-9(10)13/h2-6H,13H2,1H3.
What are the key properties of 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine?
4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-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 4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 79718644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).