5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine

C12H9BrF2N2O2S — CID 158204803

IUPAC5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-3-11(12(16)17-5-8)20(18,19)6-7-1-2-9(14)4-10(7)15/h1-5H,6H2,(H2,16,17)
InChIKeyQAHBXDKLTDVUGD-UHFFFAOYSA-N
MW363.18 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine

5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine (PubChem CID 158204803) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine
PubChem CID158204803
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-3-11(12(16)17-5-8)20(18,19)6-7-1-2-9(14)4-10(7)15/h1-5H,6H2,(H2,16,17)
InChIKeyQAHBXDKLTDVUGD-UHFFFAOYSA-N
XLogP2.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine (CID 158204803) is 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine?
The InChIKey is QAHBXDKLTDVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-8-3-11(12(16)17-5-8)20(18,19)6-7-1-2-9(14)4-10(7)15/h1-5H,6H2,(H2,16,17).
What are the key properties of 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine?
5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine has a molecular weight of 363.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine is sourced from PubChem (CID 158204803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).