1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide

C13H10Cl3N3O2 — CID 35556076

IUPAC1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide
SMILESCn1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1=O
InChIInChI=1S/C13H10Cl3N3O2/c1-19-3-2-7(4-11(19)20)13(21)18-17-12-9(15)5-8(14)6-10(12)16/h2-6,17H,1H3,(H,18,21)
InChIKeyWXNLKTSGVAMFOB-UHFFFAOYSA-N
MW346.60 g/mol
LogP3.10
Rot. Bonds3

About 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide

1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide (PubChem CID 35556076) has the molecular formula C13H10Cl3N3O2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide
PubChem CID35556076
Molecular FormulaC13H10Cl3N3O2
Molecular Weight346.60 g/mol
Exact Mass344.98
IUPAC Name1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide
SMILESCn1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1=O
InChIInChI=1S/C13H10Cl3N3O2/c1-19-3-2-7(4-11(19)20)13(21)18-17-12-9(15)5-8(14)6-10(12)16/h2-6,17H,1H3,(H,18,21)
InChIKeyWXNLKTSGVAMFOB-UHFFFAOYSA-N
XLogP3.10
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
4-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 30859138
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
CID 35185117
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
N-[1-(4-chlorophenyl)cyclopropyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 56788161
4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 26251360
6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
CID 34933662
2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3981550
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide?
The IUPAC name of 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide (CID 35556076) is 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide.
What is the SMILES notation for 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide?
The canonical SMILES for 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide is Cn1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide?
The InChIKey is WXNLKTSGVAMFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O2/c1-19-3-2-7(4-11(19)20)13(21)18-17-12-9(15)5-8(14)6-10(12)16/h2-6,17H,1H3,(H,18,21).
What are the key properties of 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide?
1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide has a molecular weight of 346.60 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N'-(2,4,6-trichlorophenyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 35556076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).