6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C10H8BrF3N2O4 — CID 170760120

IUPAC6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(=O)CO)cc(Br)nc1OCC(F)(F)F
InChIInChI=1S/C10H8BrF3N2O4/c11-6-1-4(5(18)2-17)7(8(15)19)9(16-6)20-3-10(12,13)14/h1,17H,2-3H2,(H2,15,19)
InChIKeyCOJKVDGZQWOHCY-UHFFFAOYSA-N
MW357.08 g/mol
LogP1.06
Rot. Bonds5

About 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 170760120) has the molecular formula C10H8BrF3N2O4 and a molecular weight of 357.08 g/mol. Its IUPAC name is 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID170760120
Molecular FormulaC10H8BrF3N2O4
Molecular Weight357.08 g/mol
Exact Mass355.96
IUPAC Name6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(=O)CO)cc(Br)nc1OCC(F)(F)F
InChIInChI=1S/C10H8BrF3N2O4/c11-6-1-4(5(18)2-17)7(8(15)19)9(16-6)20-3-10(12,13)14/h1,17H,2-3H2,(H2,15,19)
InChIKeyCOJKVDGZQWOHCY-UHFFFAOYSA-N
XLogP1.06
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.08
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 170760120) is 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)c1c(C(=O)CO)cc(Br)nc1OCC(F)(F)F.
What is the InChIKey of 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is COJKVDGZQWOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O4/c11-6-1-4(5(18)2-17)7(8(15)19)9(16-6)20-3-10(12,13)14/h1,17H,2-3H2,(H2,15,19).
What are the key properties of 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 357.08 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 170760120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).