3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one

C6H4BrF3N2O — CID 122362456

IUPAC3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)(F)F)c(Br)[nH]c1=O
InChIInChI=1S/C6H4BrF3N2O/c7-4-2(6(8,9)10)1-3(11)5(13)12-4/h1H,11H2,(H,12,13)
InChIKeyNOHCFZFUNQNCRA-UHFFFAOYSA-N
MW257.01 g/mol
LogP1.74
Rot. Bonds

About 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one

3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 122362456) has the molecular formula C6H4BrF3N2O and a molecular weight of 257.01 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID122362456
Molecular FormulaC6H4BrF3N2O
Molecular Weight257.01 g/mol
Exact Mass255.95
IUPAC Name3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)(F)F)c(Br)[nH]c1=O
InChIInChI=1S/C6H4BrF3N2O/c7-4-2(6(8,9)10)1-3(11)5(13)12-4/h1H,11H2,(H,12,13)
InChIKeyNOHCFZFUNQNCRA-UHFFFAOYSA-N
XLogP1.74
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.01
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
CID 130102489
5-Amino-6-oxo-3-(trifluoromethyl)-1,6-dihydropyridine-2-carbonitrile
CID 141138151
4-(Difluoromethyl)-6-hydroxypicolinamide
CID 118811925
4-Amino-6-bromo-5-(difluoromethyl)pyridin-2-ol
CID 118839706
4-(Difluoromethyl)-5-fluoro-6-hydroxypicolinamide
CID 118840184
4-Bromo-3-(difluoromethyl)-6-hydroxypicolinamide
CID 118851085
6-Bromo-5-(difluoromethyl)-3-nitropyridin-2-ol
CID 118990953
6-Bromo-5-(difluoromethyl)-4-hydroxypicolinamide
CID 119002739
3,6-Diamino-5-(difluoromethyl)pyridin-2-ol
CID 119013459
6-Bromo-5-(difluoromethyl)-3-fluoropyridin-2-ol
CID 119018923
3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130099967
3-amino-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 130101707

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one (CID 122362456) is 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one is Nc1cc(C(F)(F)F)c(Br)[nH]c1=O.
What is the InChIKey of 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NOHCFZFUNQNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O/c7-4-2(6(8,9)10)1-3(11)5(13)12-4/h1H,11H2,(H,12,13).
What are the key properties of 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one?
3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 257.01 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 122362456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).