5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one

C7H7BrF2N2O — CID 130110164

IUPAC5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(6(9)10)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyPEYJLPSKOGWWGA-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

About 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one

5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130110164) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130110164
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(6(9)10)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyPEYJLPSKOGWWGA-UHFFFAOYSA-N
XLogP1.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.53
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-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133102509
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one (CID 130110164) is 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one is NCc1cc(C(F)F)c(=O)[nH]c1Br.
What is the InChIKey of 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is PEYJLPSKOGWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-5-3(2-11)1-4(6(9)10)7(13)12-5/h1,6H,2,11H2,(H,12,13).
What are the key properties of 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 253.05 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130110164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).