3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C11H13BrF3N3O2 — CID 58442367

IUPAC3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N
InChIInChI=1S/C11H13BrF3N3O2/c1-10(2,20)4-17-9(19)7-6(16)3-5(8(12)18-7)11(13,14)15/h3,20H,4,16H2,1-2H3,(H,17,19)
InChIKeyGVRZCDPWQYZXNS-UHFFFAOYSA-N
MW356.14 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442367) has the molecular formula C11H13BrF3N3O2 and a molecular weight of 356.14 g/mol. Its IUPAC name is 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442367
Molecular FormulaC11H13BrF3N3O2
Molecular Weight356.14 g/mol
Exact Mass355.01
IUPAC Name3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N
InChIInChI=1S/C11H13BrF3N3O2/c1-10(2,20)4-17-9(19)7-6(16)3-5(8(12)18-7)11(13,14)15/h3,20H,4,16H2,1-2H3,(H,17,19)
InChIKeyGVRZCDPWQYZXNS-UHFFFAOYSA-N
XLogP1.95
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442367) is 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N.
What is the InChIKey of 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GVRZCDPWQYZXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O2/c1-10(2,20)4-17-9(19)7-6(16)3-5(8(12)18-7)11(13,14)15/h3,20H,4,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 356.14 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).