N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

C17H13FN8O4 — CID 22535774

IUPACN'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C17H13FN8O4/c18-12-4-2-1-3-11(12)17(28)25-23-15-13(26(29)30)14(20-9-21-15)22-24-16(27)10-5-7-19-8-6-10/h1-9H,(H,24,27)(H,25,28)(H2,20,21,22,23)
InChIKeyPRFALUCHHLKCHE-UHFFFAOYSA-N
MW412.34 g/mol
LogP1.43
Rot. Bonds7

About N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 22535774) has the molecular formula C17H13FN8O4 and a molecular weight of 412.34 g/mol. Its IUPAC name is N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID22535774
Molecular FormulaC17H13FN8O4
Molecular Weight412.34 g/mol
Exact Mass412.10
IUPAC NameN'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESO=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C17H13FN8O4/c18-12-4-2-1-3-11(12)17(28)25-23-15-13(26(29)30)14(20-9-21-15)22-24-16(27)10-5-7-19-8-6-10/h1-9H,(H,24,27)(H,25,28)(H2,20,21,22,23)
InChIKeyPRFALUCHHLKCHE-UHFFFAOYSA-N
XLogP1.43
TPSA164.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535789
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
methyl 2-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 22528818
2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23483819
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535812
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692
2-fluoro-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527560
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
4-chloro-N'-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527698
N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
CID 22536554

Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide (CID 22535774) is N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is O=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is PRFALUCHHLKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN8O4/c18-12-4-2-1-3-11(12)17(28)25-23-15-13(26(29)30)14(20-9-21-15)22-24-16(27)10-5-7-19-8-6-10/h1-9H,(H,24,27)(H,25,28)(H2,20,21,22,23).
What are the key properties of N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 412.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 22535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).