N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide

C12H10FN5O3 — CID 107335631

IUPACN-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
SMILESNNc1cnccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10FN5O3/c13-7-3-8(5-9(4-7)18(20)21)16-12(19)10-1-2-15-6-11(10)17-14/h1-6,17H,14H2,(H,16,19)
InChIKeyARXPHVYCVQAYOQ-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.67
Rot. Bonds4

About N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide

N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide (PubChem CID 107335631) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
PubChem CID107335631
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
SMILESNNc1cnccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10FN5O3/c13-7-3-8(5-9(4-7)18(20)21)16-12(19)10-1-2-15-6-11(10)17-14/h1-6,17H,14H2,(H,16,19)
InChIKeyARXPHVYCVQAYOQ-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'}

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Related Compounds

3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
3-hydrazinyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 105071908
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
N-(3,5-difluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068357
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
N-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide (CID 107335631) is N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide is NNc1cnccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide?
The InChIKey is ARXPHVYCVQAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c13-7-3-8(5-9(4-7)18(20)21)16-12(19)10-1-2-15-6-11(10)17-14/h1-6,17H,14H2,(H,16,19).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide?
N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide 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 N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 107335631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).