2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide

C11H9Cl2N7O3 — CID 22534722

IUPAC2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESNNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9Cl2N7O3/c12-5-1-2-6(7(13)3-5)11(21)19-18-10-8(20(22)23)9(17-14)15-4-16-10/h1-4H,14H2,(H,19,21)(H2,15,16,17,18)
InChIKeyHEFFHJPMEGDKPI-UHFFFAOYSA-N
MW358.15 g/mol
LogP1.73
Rot. Bonds5

About 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide

2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide (PubChem CID 22534722) has the molecular formula C11H9Cl2N7O3 and a molecular weight of 358.15 g/mol. Its IUPAC name is 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide
PubChem CID22534722
Molecular FormulaC11H9Cl2N7O3
Molecular Weight358.15 g/mol
Exact Mass357.01
IUPAC Name2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESNNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H9Cl2N7O3/c12-5-1-2-6(7(13)3-5)11(21)19-18-10-8(20(22)23)9(17-14)15-4-16-10/h1-4H,14H2,(H,19,21)(H2,15,16,17,18)
InChIKeyHEFFHJPMEGDKPI-UHFFFAOYSA-N
XLogP1.73
TPSA148.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(tert-butylamino)-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 23478781
2,4-dichloro-N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536438
2,4-dichloro-N'-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536417
2,4-dichloro-N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532415
N'-[6-[(5-bromo-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22531329
2,4-dichloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526397
dimethyl 5-[[6-[2-(2,4-dichlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486379
2,4-dichloro-N'-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzohydrazide
CID 22536432
2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 22536464
2,4-dichloro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22536463
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 23478056
2,4-dichloro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide
CID 23481588

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide (CID 22534722) is 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide is NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide?
The InChIKey is HEFFHJPMEGDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N7O3/c12-5-1-2-6(7(13)3-5)11(21)19-18-10-8(20(22)23)9(17-14)15-4-16-10/h1-4H,14H2,(H,19,21)(H2,15,16,17,18).
What are the key properties of 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide?
2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide has a molecular weight of 358.15 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 22534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).