N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide

C12H10ClN5O3 — CID 107812142

IUPACN-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN5O3/c13-9-2-1-7(5-11(9)18(20)21)16-12(19)8-6-15-4-3-10(8)17-14/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyCKYLWNSZTBYKGR-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.18
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide

N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide (PubChem CID 107812142) has the molecular formula C12H10ClN5O3 and a molecular weight of 307.70 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
PubChem CID107812142
Molecular FormulaC12H10ClN5O3
Molecular Weight307.70 g/mol
Exact Mass307.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN5O3/c13-9-2-1-7(5-11(9)18(20)21)16-12(19)8-6-15-4-3-10(8)17-14/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyCKYLWNSZTBYKGR-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

N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255856
N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107812143
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide (CID 107812142) is N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide is NNc1ccncc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is CKYLWNSZTBYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O3/c13-9-2-1-7(5-11(9)18(20)21)16-12(19)8-6-15-4-3-10(8)17-14/h1-6H,14H2,(H,15,17)(H,16,19).
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide?
N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide 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 N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107812142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).