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

C7H7BrF2N2O — CID 133093574

IUPAC3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(Br)[nH]c1=O
InChIInChI=1S/C7H7BrF2N2O/c8-5-4(6(9)10)1-3(2-11)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyUYVKIVUWXUDKTA-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.53
Rot. Bonds2

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

3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 133093574) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID133093574
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(Br)[nH]c1=O
InChIInChI=1S/C7H7BrF2N2O/c8-5-4(6(9)10)1-3(2-11)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyUYVKIVUWXUDKTA-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

5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133102509
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
3-(aminomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130097019
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 118996890
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one (CID 133093574) is 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one is NCc1cc(C(F)F)c(Br)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is UYVKIVUWXUDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-5-4(6(9)10)1-3(2-11)7(13)12-5/h1,6H,2,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-bromo-5-(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 3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133093574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).