6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine

C12H10BrF2N3O2S — CID 89158881

IUPAC6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(S(=O)(=O)C(F)F)ccn2)c1
InChIInChI=1S/C12H10BrF2N3O2S/c1-7-4-9(13)17-11(5-7)18-10-6-8(2-3-16-10)21(19,20)12(14)15/h2-6,12H,1H3,(H,16,17,18)
InChIKeyWZLQZDIGZMHAKC-UHFFFAOYSA-N
MW378.20 g/mol
LogP3.29
Rot. Bonds4

About 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine

6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine (PubChem CID 89158881) has the molecular formula C12H10BrF2N3O2S and a molecular weight of 378.20 g/mol. Its IUPAC name is 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine
PubChem CID89158881
Molecular FormulaC12H10BrF2N3O2S
Molecular Weight378.20 g/mol
Exact Mass376.96
IUPAC Name6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(S(=O)(=O)C(F)F)ccn2)c1
InChIInChI=1S/C12H10BrF2N3O2S/c1-7-4-9(13)17-11(5-7)18-10-6-8(2-3-16-10)21(19,20)12(14)15/h2-6,12H,1H3,(H,16,17,18)
InChIKeyWZLQZDIGZMHAKC-UHFFFAOYSA-N
XLogP3.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine (CID 89158881) is 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine is Cc1cc(Br)nc(Nc2cc(S(=O)(=O)C(F)F)ccn2)c1.
What is the InChIKey of 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine?
The InChIKey is WZLQZDIGZMHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O2S/c1-7-4-9(13)17-11(5-7)18-10-6-8(2-3-16-10)21(19,20)12(14)15/h2-6,12H,1H3,(H,16,17,18).
What are the key properties of 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine?
6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine has a molecular weight of 378.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(difluoromethylsulfonyl)-2-pyridinyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 89158881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).