4-fluoro-2-nitrobenzenecarboximidamide

C7H6FN3O2 — CID 53404311

IUPAC4-fluoro-2-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O2/c8-4-1-2-5(7(9)10)6(3-4)11(12)13/h1-3H,(H3,9,10)
InChIKeyKNTNZGJSNHYCNP-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.02
Rot. Bonds2

About 4-fluoro-2-nitrobenzenecarboximidamide

4-fluoro-2-nitrobenzenecarboximidamide (PubChem CID 53404311) has the molecular formula C7H6FN3O2 and a molecular weight of 183.14 g/mol. Its IUPAC name is 4-fluoro-2-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-2-nitrobenzenecarboximidamide
PubChem CID53404311
Molecular FormulaC7H6FN3O2
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name4-fluoro-2-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O2/c8-4-1-2-5(7(9)10)6(3-4)11(12)13/h1-3H,(H3,9,10)
InChIKeyKNTNZGJSNHYCNP-UHFFFAOYSA-N
XLogP1.02
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
ethyl 4-fluoro-2-nitrobenzoate
CID 46311379
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
2-(4-fluoro-2-nitrophenyl)-3-hydroxybut-2-enoic acid
CID 141076588
2-amino-4-chloro-5-nitrobenzenecarboximidamide
CID 150654153
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-fluoro-2-nitrobenzamide
CID 97309297
(4-fluoro-2-nitrophenyl)urea
CID 69476086

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitrobenzenecarboximidamide?
The IUPAC name of 4-fluoro-2-nitrobenzenecarboximidamide (CID 53404311) is 4-fluoro-2-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-fluoro-2-nitrobenzenecarboximidamide?
The canonical SMILES for 4-fluoro-2-nitrobenzenecarboximidamide is [H]/N=C(\N)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-nitrobenzenecarboximidamide?
The InChIKey is KNTNZGJSNHYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2/c8-4-1-2-5(7(9)10)6(3-4)11(12)13/h1-3H,(H3,9,10).
What are the key properties of 4-fluoro-2-nitrobenzenecarboximidamide?
4-fluoro-2-nitrobenzenecarboximidamide has a molecular weight of 183.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitrobenzenecarboximidamide is sourced from PubChem (CID 53404311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).