N'-(2-nitro-3-pyridinyl)benzohydrazide

C12H10N4O3 — CID 14387403

IUPACN'-(2-nitro-3-pyridinyl)benzohydrazide
SMILESO=C(NNc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H10N4O3/c17-12(9-5-2-1-3-6-9)15-14-10-7-4-8-13-11(10)16(18)19/h1-8,14H,(H,15,17)
InChIKeyIKHSKSLDZHGQSC-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.75
Rot. Bonds4

About N'-(2-nitro-3-pyridinyl)benzohydrazide

N'-(2-nitro-3-pyridinyl)benzohydrazide (PubChem CID 14387403) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N'-(2-nitro-3-pyridinyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-nitro-3-pyridinyl)benzohydrazide
PubChem CID14387403
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN'-(2-nitro-3-pyridinyl)benzohydrazide
SMILESO=C(NNc1cccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H10N4O3/c17-12(9-5-2-1-3-6-9)15-14-10-7-4-8-13-11(10)16(18)19/h1-8,14H,(H,15,17)
InChIKeyIKHSKSLDZHGQSC-UHFFFAOYSA-N
XLogP1.75
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-nitrophenyl)benzohydrazide
CID 3718054
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N-methyl-2-nitropyridin-3-amine
CID 555983
N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide
CID 157453648
2-anilino-N-(2-nitro-3-pyridinyl)-2-sulfanylideneacetamide
CID 138454481
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
CID 3958331
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535053

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitro-3-pyridinyl)benzohydrazide?
The IUPAC name of N'-(2-nitro-3-pyridinyl)benzohydrazide (CID 14387403) is N'-(2-nitro-3-pyridinyl)benzohydrazide.
What is the SMILES notation for N'-(2-nitro-3-pyridinyl)benzohydrazide?
The canonical SMILES for N'-(2-nitro-3-pyridinyl)benzohydrazide is O=C(NNc1cccnc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(2-nitro-3-pyridinyl)benzohydrazide?
The InChIKey is IKHSKSLDZHGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-12(9-5-2-1-3-6-9)15-14-10-7-4-8-13-11(10)16(18)19/h1-8,14H,(H,15,17).
What are the key properties of N'-(2-nitro-3-pyridinyl)benzohydrazide?
N'-(2-nitro-3-pyridinyl)benzohydrazide has a molecular weight of 258.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitro-3-pyridinyl)benzohydrazide is sourced from PubChem (CID 14387403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).