N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H10BrF3N2O2 — CID 102674406

IUPACN-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cc(Br)ccn1
InChIInChI=1S/C10H10BrF3N2O2/c11-7-1-3-15-8(5-7)16-9(17)2-4-18-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,16,17)
InChIKeyIBDNTLAAQUEVPF-UHFFFAOYSA-N
MW327.10 g/mol
LogP2.75
Rot. Bonds5

About N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 102674406) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID102674406
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC NameN-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1cc(Br)ccn1
InChIInChI=1S/C10H10BrF3N2O2/c11-7-1-3-15-8(5-7)16-9(17)2-4-18-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,16,17)
InChIKeyIBDNTLAAQUEVPF-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-5-bromopyridine
CID 293097
2-Acetylamino-2-(5-bromo-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
CID 540880
N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)butanamide
CID 876084
2,2,2-trifluoro-N-(pyridin-2-yl)acetamide
CID 261962
N-2-Pyridinylperfluorobutanamide
CID 3350460
2-Fluoro-N-(pyridin-2-yl)ethanimidic acid
CID 9977
N-2-Pyridinylpropanamide
CID 202968
2-Acetamido-5-bromo-4-methylpyridine
CID 15179563

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 102674406) is N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IBDNTLAAQUEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c11-7-1-3-15-8(5-7)16-9(17)2-4-18-6-10(12,13)14/h1,3,5H,2,4,6H2,(H,15,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 327.10 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 102674406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).