3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C11H10BrF6N3O2 — CID 58442334

IUPAC3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyFKVGABLCWNRNCT-SECBINFHSA-N
MW410.11 g/mol
LogP2.49
Rot. Bonds3

About 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442334) has the molecular formula C11H10BrF6N3O2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442334
Molecular FormulaC11H10BrF6N3O2
Molecular Weight410.11 g/mol
Exact Mass408.99
IUPAC Name3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyFKVGABLCWNRNCT-SECBINFHSA-N
XLogP2.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 52.49
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-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442334) is 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is C[C@@](O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F.
What is the InChIKey of 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FKVGABLCWNRNCT-SECBINFHSA-N. The full InChI is InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of 3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-bromo-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 410.11 g/mol, XLogP of 2.49, 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-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).