3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one

C11H6Cl2N2O3 — CID 133092901

IUPAC3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one
SMILESO=c1c(-c2cc(Cl)cc(Cl)c2)c[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2N2O3/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(11(9)16)15(17)18/h1-5H,(H,14,16)
InChIKeyDKHBUGYPNCKBAD-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.26
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one

3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one (PubChem CID 133092901) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one
PubChem CID133092901
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one
SMILESO=c1c(-c2cc(Cl)cc(Cl)c2)c[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2N2O3/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(11(9)16)15(17)18/h1-5H,(H,14,16)
InChIKeyDKHBUGYPNCKBAD-UHFFFAOYSA-N
XLogP3.26
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 60789782
3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092307
4-(3,5-dichlorophenyl)-1-nitro-2-(trifluoromethyl)benzene
CID 134623765
4-chloro-2,6-dinitrophenolate
CID 36690453
3-bromo-4-chloro-5-nitropyridine;3-bromo-5-nitro-1H-pyridin-4-one
CID 159090642
3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-5-nitro-1H-pyridin-4-one
CID 118663819
3-nitro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092130
5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
CID 176548411
5-chloro-2-fluoro-3-nitrobenzoyl chloride
CID 165349862
1-(2,5-dichloro-3-nitrophenyl)ethanone
CID 10036984
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
CID 175866851

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one (CID 133092901) is 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one is O=c1c(-c2cc(Cl)cc(Cl)c2)c[nH]cc1[N+](=O)[O-].
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one?
The InChIKey is DKHBUGYPNCKBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(11(9)16)15(17)18/h1-5H,(H,14,16).
What are the key properties of 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one?
3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one has a molecular weight of 285.09 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one is sourced from PubChem (CID 133092901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).