N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide

C11H10BrF3N2O2 — CID 74891219

IUPACN-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)c1ccc(OC)nc1Br
InChIInChI=1S/C11H10BrF3N2O2/c1-3-6-17(10(18)11(13,14)15)7-4-5-8(19-2)16-9(7)12/h3-5H,1,6H2,2H3
InChIKeyKEYFZGQFZYNEKS-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.93
Rot. Bonds4

About N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide

N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 74891219) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID74891219
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC NameN-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)c1ccc(OC)nc1Br
InChIInChI=1S/C11H10BrF3N2O2/c1-3-6-17(10(18)11(13,14)15)7-4-5-8(19-2)16-9(7)12/h3-5H,1,6H2,2H3
InChIKeyKEYFZGQFZYNEKS-UHFFFAOYSA-N
XLogP2.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide (CID 74891219) is N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCN(C(=O)C(F)(F)F)c1ccc(OC)nc1Br.
What is the InChIKey of N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is KEYFZGQFZYNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c1-3-6-17(10(18)11(13,14)15)7-4-5-8(19-2)16-9(7)12/h3-5H,1,6H2,2H3.
What are the key properties of N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 339.11 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 74891219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).