2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one

C7H5ClF2INO — CID 118826908

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CCl)c1I
InChIInChI=1S/C7H5ClF2INO/c8-2-4-6(11)5(13)1-3(12-4)7(9)10/h1,7H,2H2,(H,12,13)
InChIKeyKAGWNKXQICOTPZ-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.66
Rot. Bonds2

About 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one

2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one (PubChem CID 118826908) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
PubChem CID118826908
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CCl)c1I
InChIInChI=1S/C7H5ClF2INO/c8-2-4-6(11)5(13)1-3(12-4)7(9)10/h1,7H,2H2,(H,12,13)
InChIKeyKAGWNKXQICOTPZ-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-iodo-4-oxo-1H-pyridine-2-carboxylic acid
CID 130082854
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083780
4-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one (CID 118826908) is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(CCl)c1I.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one?
The InChIKey is KAGWNKXQICOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-2-4-6(11)5(13)1-3(12-4)7(9)10/h1,7H,2H2,(H,12,13).
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one?
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one has a molecular weight of 319.48 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one is sourced from PubChem (CID 118826908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).