N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

C12H10FN5O3 — CID 107335632

IUPACN-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10FN5O3/c13-8-3-9(5-10(4-8)18(20)21)16-12(19)7-1-2-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyPWOOUIYOTKUVOI-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.67
Rot. Bonds4

About N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 107335632) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID107335632
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10FN5O3/c13-8-3-9(5-10(4-8)18(20)21)16-12(19)7-1-2-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyPWOOUIYOTKUVOI-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

6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107335631
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107810326
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
6-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154384
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (CID 107335632) is N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide is NNc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is PWOOUIYOTKUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c13-8-3-9(5-10(4-8)18(20)21)16-12(19)7-1-2-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-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)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107335632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).