N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

C16H11F2N7O3 — CID 22536653

IUPACN'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C16H11F2N7O3/c17-10-3-4-11(18)12(6-10)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)9-2-1-5-19-7-9/h1-8H,(H,24,26)(H2,20,21,22,23)
InChIKeyZQKMNCGXZJLVKY-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.56
Rot. Bonds6

About N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 22536653) has the molecular formula C16H11F2N7O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID22536653
Molecular FormulaC16H11F2N7O3
Molecular Weight387.31 g/mol
Exact Mass387.09
IUPAC NameN'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C16H11F2N7O3/c17-10-3-4-11(18)12(6-10)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)9-2-1-5-19-7-9/h1-8H,(H,24,26)(H2,20,21,22,23)
InChIKeyZQKMNCGXZJLVKY-UHFFFAOYSA-N
XLogP2.56
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535812
N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536631
N'-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536651
N'-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536247
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
4-chloro-N'-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527698
N'-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536623
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530803
3-chloro-N'-[6-(4-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533304

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide (CID 22536653) is N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is ZQKMNCGXZJLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N7O3/c17-10-3-4-11(18)12(6-10)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)9-2-1-5-19-7-9/h1-8H,(H,24,26)(H2,20,21,22,23).
What are the key properties of N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 387.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 22536653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).