6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide

C7H5ClF2N2O2 — CID 87742639

IUPAC6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1c(F)cc(CCl)n(F)c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-2-3-1-4(9)5(6(11)13)7(14)12(3)10/h1H,2H2,(H2,11,13)
InChIKeyAPSLPJPSFGWYRB-UHFFFAOYSA-N
MW222.58 g/mol
LogP0.56
Rot. Bonds2

About 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide

6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide (PubChem CID 87742639) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide
PubChem CID87742639
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1c(F)cc(CCl)n(F)c1=O
InChIInChI=1S/C7H5ClF2N2O2/c8-2-3-1-4(9)5(6(11)13)7(14)12(3)10/h1H,2H2,(H2,11,13)
InChIKeyAPSLPJPSFGWYRB-UHFFFAOYSA-N
XLogP0.56
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide (CID 87742639) is 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide is NC(=O)c1c(F)cc(CCl)n(F)c1=O.
What is the InChIKey of 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide?
The InChIKey is APSLPJPSFGWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-2-3-1-4(9)5(6(11)13)7(14)12(3)10/h1H,2H2,(H2,11,13).
What are the key properties of 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide?
6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1,4-difluoro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 87742639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).