6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

C10H10BrF3N2O2 — CID 66462180

IUPAC6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C10H10BrF3N2O2/c11-8-2-1-7(5-16-8)9(17)15-3-4-18-6-10(12,13)14/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyMFTDYYZSZWFXGS-UHFFFAOYSA-N
MW327.10 g/mol
LogP2.15
Rot. Bonds5

About 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 66462180) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
PubChem CID66462180
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C10H10BrF3N2O2/c11-8-2-1-7(5-16-8)9(17)15-3-4-18-6-10(12,13)14/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyMFTDYYZSZWFXGS-UHFFFAOYSA-N
XLogP2.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
4-bromo-3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 60730880
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307
5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 63832210

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (CID 66462180) is 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is O=C(NCCOCC(F)(F)F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is MFTDYYZSZWFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c11-8-2-1-7(5-16-8)9(17)15-3-4-18-6-10(12,13)14/h1-2,5H,3-4,6H2,(H,15,17).
What are the key properties of 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 327.10 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).