N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide

C12H10ClN5O3 — CID 62242361

IUPACN-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN5O3/c13-7-1-4-11(15-6-7)16-12(19)9-5-8(18(20)21)2-3-10(9)17-14/h1-6,17H,14H2,(H,15,16,19)
InChIKeyZOFXJERZAYJLJQ-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.18
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide

N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide (PubChem CID 62242361) has the molecular formula C12H10ClN5O3 and a molecular weight of 307.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
PubChem CID62242361
Molecular FormulaC12H10ClN5O3
Molecular Weight307.70 g/mol
Exact Mass307.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN5O3/c13-7-1-4-11(15-6-7)16-12(19)9-5-8(18(20)21)2-3-10(9)17-14/h1-6,17H,14H2,(H,15,16,19)
InChIKeyZOFXJERZAYJLJQ-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

5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
CID 10360560
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)-5-nitrobenzamide
CID 35022110
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1255270
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide (CID 62242361) is N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide is NNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide?
The InChIKey is ZOFXJERZAYJLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O3/c13-7-1-4-11(15-6-7)16-12(19)9-5-8(18(20)21)2-3-10(9)17-14/h1-6,17H,14H2,(H,15,16,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide?
N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide 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-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide is sourced from PubChem (CID 62242361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).