N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide

C8H6BrF3N2O — CID 130752361

IUPACN-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccnc(Br)c1
InChIInChI=1S/C8H6BrF3N2O/c9-6-3-5(1-2-13-6)14-7(15)4-8(10,11)12/h1-3H,4H2,(H,13,14,15)
InChIKeyPQFFGPJXHGNVFY-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.73
Rot. Bonds2

About N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide

N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide (PubChem CID 130752361) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
PubChem CID130752361
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC NameN-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccnc(Br)c1
InChIInChI=1S/C8H6BrF3N2O/c9-6-3-5(1-2-13-6)14-7(15)4-8(10,11)12/h1-3H,4H2,(H,13,14,15)
InChIKeyPQFFGPJXHGNVFY-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
CID 59276950
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
CID 155390784
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
4,4,4-trifluoro-N-pyridin-4-ylbutanamide
CID 155981646

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide (CID 130752361) is N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide?
The InChIKey is PQFFGPJXHGNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c9-6-3-5(1-2-13-6)14-7(15)4-8(10,11)12/h1-3H,4H2,(H,13,14,15).
What are the key properties of N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide?
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide has a molecular weight of 283.05 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 130752361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).