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

C7H5Cl2F2NO — CID 118996890

IUPAC6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(C(F)F)cc1CCl
InChIInChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(6(10)11)5(9)12-7(3)13/h1,6H,2H2,(H,12,13)
InChIKeyLQRCMGYHUDRKOY-UHFFFAOYSA-N
MW228.03 g/mol
LogP2.70
Rot. Bonds2

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

6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118996890) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.03 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118996890
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.03 g/mol
Exact Mass226.97
IUPAC Name6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(C(F)F)cc1CCl
InChIInChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(6(10)11)5(9)12-7(3)13/h1,6H,2H2,(H,12,13)
InChIKeyLQRCMGYHUDRKOY-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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
ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133101822
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
4-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 118998534
5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one (CID 118996890) is 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(Cl)c(C(F)F)cc1CCl.
What is the InChIKey of 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is LQRCMGYHUDRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(6(10)11)5(9)12-7(3)13/h1,6H,2H2,(H,12,13).
What are the key properties of 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one?
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 228.03 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118996890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).