1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide

C15H13Cl2N3O6 — CID 42942061

IUPAC1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(O)COc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C15H13Cl2N3O6/c16-8-1-2-13(12(17)3-8)26-7-10(21)6-19-5-9(20(24)25)4-11(14(18)22)15(19)23/h1-5,10,21H,6-7H2,(H2,18,22)
InChIKeySORHUGMJMTTYIG-UHFFFAOYSA-N
MW402.19 g/mol
LogP1.60
Rot. Bonds7

About 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 42942061) has the molecular formula C15H13Cl2N3O6 and a molecular weight of 402.19 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID42942061
Molecular FormulaC15H13Cl2N3O6
Molecular Weight402.19 g/mol
Exact Mass401.02
IUPAC Name1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(O)COc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C15H13Cl2N3O6/c16-8-1-2-13(12(17)3-8)26-7-10(21)6-19-5-9(20(24)25)4-11(14(18)22)15(19)23/h1-5,10,21H,6-7H2,(H2,18,22)
InChIKeySORHUGMJMTTYIG-UHFFFAOYSA-N
XLogP1.60
TPSA137.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 32540858
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675
1-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546776
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 7891622
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 34349709
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038188
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 34351279
3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 26009764
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 42942061) is 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(CC(O)COc2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is SORHUGMJMTTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O6/c16-8-1-2-13(12(17)3-8)26-7-10(21)6-19-5-9(20(24)25)4-11(14(18)22)15(19)23/h1-5,10,21H,6-7H2,(H2,18,22).
What are the key properties of 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 402.19 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 42942061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).