3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one

C7H7ClF2N2O — CID 130104754

IUPAC3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(CCl)[nH]c1=O
InChIInChI=1S/C7H7ClF2N2O/c8-2-5-3(6(9)10)1-4(11)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyYPHXAYPNKHJPPP-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.63
Rot. Bonds2

About 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one

3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130104754) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130104754
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(CCl)[nH]c1=O
InChIInChI=1S/C7H7ClF2N2O/c8-2-5-3(6(9)10)1-4(11)7(13)12-5/h1,6H,2,11H2,(H,12,13)
InChIKeyYPHXAYPNKHJPPP-UHFFFAOYSA-N
XLogP1.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(chloromethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118821536
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133101822
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130079410
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 118996890
6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one (CID 130104754) is 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one is Nc1cc(C(F)F)c(CCl)[nH]c1=O.
What is the InChIKey of 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is YPHXAYPNKHJPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-2-5-3(6(9)10)1-4(11)7(13)12-5/h1,6H,2,11H2,(H,12,13).
What are the key properties of 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 208.59 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).