4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide

C12H10FN5O3 — CID 62242174

IUPAC4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
SMILESNNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN5O3/c13-9-6-11(18(20)21)8(5-10(9)17-14)12(19)16-7-1-3-15-4-2-7/h1-6,17H,14H2,(H,15,16,19)
InChIKeyOFDNXGJXTQLTLB-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.67
Rot. Bonds4

About 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide

4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide (PubChem CID 62242174) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
PubChem CID62242174
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC Name4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
SMILESNNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN5O3/c13-9-6-11(18(20)21)8(5-10(9)17-14)12(19)16-7-1-3-15-4-2-7/h1-6,17H,14H2,(H,15,16,19)
InChIKeyOFDNXGJXTQLTLB-UHFFFAOYSA-N
XLogP1.67
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 51.67
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'}

Analyze 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
CID 79233095
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide (CID 62242174) is 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide is NNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is OFDNXGJXTQLTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c13-9-6-11(18(20)21)8(5-10(9)17-14)12(19)16-7-1-3-15-4-2-7/h1-6,17H,14H2,(H,15,16,19).
What are the key properties of 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide?
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 291.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 62242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).