4-(chloromethyl)-3H-pyridine-2,6-dione

C6H6ClNO2 — CID 131036937

IUPAC4-(chloromethyl)-3H-pyridine-2,6-dione
SMILESO=C1C=C(CCl)CC(=O)N1
InChIInChI=1S/C6H6ClNO2/c7-3-4-1-5(9)8-6(10)2-4/h1H,2-3H2,(H,8,9,10)
InChIKeyKEGROHHMOGXKPE-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.20
Rot. Bonds1

About 4-(chloromethyl)-3H-pyridine-2,6-dione

4-(chloromethyl)-3H-pyridine-2,6-dione (PubChem CID 131036937) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 4-(chloromethyl)-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4-(chloromethyl)-3H-pyridine-2,6-dione
PubChem CID131036937
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name4-(chloromethyl)-3H-pyridine-2,6-dione
SMILESO=C1C=C(CCl)CC(=O)N1
InChIInChI=1S/C6H6ClNO2/c7-3-4-1-5(9)8-6(10)2-4/h1H,2-3H2,(H,8,9,10)
InChIKeyKEGROHHMOGXKPE-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3H-pyridine-2,6-dione
CID 18687552
4-ethyl-6-methylidene-3H-pyridin-2-one
CID 134558144
4-ethyl-2,3-dihydro-1H-pyridin-6-one
CID 89096118
1,3-diazinane-2,4,6-trione;methane
CID 70575233
CID 69134570
CID 69134570
magnesium;1,3-diazinane-2,4,6-trione;hydride
CID 173055319
bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
CID 139202074
(E)-4-[3-(2-methylidene-6-oxo-3H-pyridin-4-yl)propoxy]-4-oxobut-2-enoic acid
CID 159804375
4-(chloromethyl)-8-methoxy-1,3-dihydro-1,5-benzodiazepin-2-one
CID 12749119
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
sodium 2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21151290
3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione
CID 143295220

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3H-pyridine-2,6-dione?
The IUPAC name of 4-(chloromethyl)-3H-pyridine-2,6-dione (CID 131036937) is 4-(chloromethyl)-3H-pyridine-2,6-dione.
What is the SMILES notation for 4-(chloromethyl)-3H-pyridine-2,6-dione?
The canonical SMILES for 4-(chloromethyl)-3H-pyridine-2,6-dione is O=C1C=C(CCl)CC(=O)N1.
What is the InChIKey of 4-(chloromethyl)-3H-pyridine-2,6-dione?
The InChIKey is KEGROHHMOGXKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c7-3-4-1-5(9)8-6(10)2-4/h1H,2-3H2,(H,8,9,10).
What are the key properties of 4-(chloromethyl)-3H-pyridine-2,6-dione?
4-(chloromethyl)-3H-pyridine-2,6-dione has a molecular weight of 159.57 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3H-pyridine-2,6-dione is sourced from PubChem (CID 131036937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).