3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide

C12H10ClN5O3 — CID 62242721

IUPAC3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
SMILESNNc1c(Cl)cc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN5O3/c13-9-5-7(6-10(18(20)21)11(9)17-14)12(19)16-8-1-3-15-4-2-8/h1-6,17H,14H2,(H,15,16,19)
InChIKeyUWEGMOBPCBKRNK-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.18
Rot. Bonds4

About 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide

3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide (PubChem CID 62242721) has the molecular formula C12H10ClN5O3 and a molecular weight of 307.70 g/mol. Its IUPAC name is 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
PubChem CID62242721
Molecular FormulaC12H10ClN5O3
Molecular Weight307.70 g/mol
Exact Mass307.05
IUPAC Name3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
SMILESNNc1c(Cl)cc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN5O3/c13-9-5-7(6-10(18(20)21)11(9)17-14)12(19)16-8-1-3-15-4-2-8/h1-6,17H,14H2,(H,15,16,19)
InChIKeyUWEGMOBPCBKRNK-UHFFFAOYSA-N
XLogP2.18
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-chloro-4-hydrazinyl-5-nitro-N-pyridin-2-ylbenzamide
CID 62247733
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
4-(1-aminoethyl)-3-nitro-N-pyridin-4-ylbenzamide;dihydrochloride
CID 69077276
3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
CID 62243070
(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62237135
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide (CID 62242721) is 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide is NNc1c(Cl)cc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is UWEGMOBPCBKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O3/c13-9-5-7(6-10(18(20)21)11(9)17-14)12(19)16-8-1-3-15-4-2-8/h1-6,17H,14H2,(H,15,16,19).
What are the key properties of 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide?
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 307.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 62242721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).