N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide

C12H10N4O4 — CID 157453648

IUPACN'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide
SMILESO=C(NNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H10N4O4/c17-11(8-4-2-1-3-5-8)15-14-9-6-7-13-12(18)10(9)16(19)20/h1-7H,(H,15,17)(H2,13,14,18)
InChIKeyBTCBRCVBUXGZIX-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.04
Rot. Bonds4

About N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide

N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide (PubChem CID 157453648) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide
PubChem CID157453648
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide
SMILESO=C(NNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H10N4O4/c17-11(8-4-2-1-3-5-8)15-14-9-6-7-13-12(18)10(9)16(19)20/h1-7H,(H,15,17)(H2,13,14,18)
InChIKeyBTCBRCVBUXGZIX-UHFFFAOYSA-N
XLogP1.04
TPSA117.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.04
H-Bond Donors ≤ 53
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'-(2-nitro-3-pyridinyl)benzohydrazide
CID 14387403
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
3-nitro-4-(pentylamino)-1H-pyridin-2-one
CID 127266767
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
4-iodo-3-nitro-1H-pyridin-2-one
CID 177198093
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530803
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide?
The IUPAC name of N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide (CID 157453648) is N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide?
The canonical SMILES for N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide is O=C(NNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide?
The InChIKey is BTCBRCVBUXGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-11(8-4-2-1-3-5-8)15-14-9-6-7-13-12(18)10(9)16(19)20/h1-7H,(H,15,17)(H2,13,14,18).
What are the key properties of N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide?
N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide has a molecular weight of 274.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitro-2-oxo-1H-pyridin-4-yl)benzohydrazide is sourced from PubChem (CID 157453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).