acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine

C10H12FN5O4 — CID 146217275

IUPACacetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
SMILESCC(=O)O.NC(N)=NN=Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8FN5O2.C2H4O2/c9-6-2-1-3-7(14(15)16)5(6)4-12-13-8(10)11;1-2(3)4/h1-4H,(H4,10,11,13);1H3,(H,3,4)
InChIKeyJTSZLKSUNTULEX-UHFFFAOYSA-N
MW285.24 g/mol
LogP0.43
Rot. Bonds3

About acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine

acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine (PubChem CID 146217275) has the molecular formula C10H12FN5O4 and a molecular weight of 285.24 g/mol. Its IUPAC name is acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Nameacetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
PubChem CID146217275
Molecular FormulaC10H12FN5O4
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Nameacetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
SMILESCC(=O)O.NC(N)=NN=Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8FN5O2.C2H4O2/c9-6-2-1-3-7(14(15)16)5(6)4-12-13-8(10)11;1-2(3)4/h1-4H,(H4,10,11,13);1H3,(H,3,4)
InChIKeyJTSZLKSUNTULEX-UHFFFAOYSA-N
XLogP0.43
TPSA157.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
CID 146217414
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
CID 85064349
acetic acid;2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]guanidine
CID 87175667
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
acetic acid;2-[(E)-(3,5-dinitrophenyl)methylideneamino]guanidine
CID 89145272
2-fluoro-6-nitrobenzoic acid
CID 603758
acetic acid;2-[(E)-(2-bromo-5-chloro-3-nitrophenyl)methylideneamino]guanidine
CID 87175720
ethyl (E)-3-(2-fluoro-6-nitrophenyl)prop-2-enoate
CID 163353636
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine (CID 146217275) is acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine is CC(=O)O.NC(N)=NN=Cc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine?
The InChIKey is JTSZLKSUNTULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2.C2H4O2/c9-6-2-1-3-7(14(15)16)5(6)4-12-13-8(10)11;1-2(3)4/h1-4H,(H4,10,11,13);1H3,(H,3,4).
What are the key properties of acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine?
acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine has a molecular weight of 285.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 146217275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).