2-chloro-1-(4-fluorophenyl)guanidine;nitric acid

C7H8ClFN4O3 — CID 173196722

IUPAC2-chloro-1-(4-fluorophenyl)guanidine;nitric acid
SMILESNC(=NCl)Nc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C7H7ClFN3.HNO3/c8-12-7(10)11-6-3-1-5(9)2-4-6;2-1(3)4/h1-4H,(H3,10,11,12);(H,2,3,4)
InChIKeyGAOBCUUSOZHNJM-UHFFFAOYSA-N
MW250.62 g/mol
LogP1.36
Rot. Bonds1

About 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid

2-chloro-1-(4-fluorophenyl)guanidine;nitric acid (PubChem CID 173196722) has the molecular formula C7H8ClFN4O3 and a molecular weight of 250.62 g/mol. Its IUPAC name is 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid.

Molecular Properties

Compound Name2-chloro-1-(4-fluorophenyl)guanidine;nitric acid
PubChem CID173196722
Molecular FormulaC7H8ClFN4O3
Molecular Weight250.62 g/mol
Exact Mass250.03
IUPAC Name2-chloro-1-(4-fluorophenyl)guanidine;nitric acid
SMILESNC(=NCl)Nc1ccc(F)cc1.O=[N+]([O-])O
InChIInChI=1S/C7H7ClFN3.HNO3/c8-12-7(10)11-6-3-1-5(9)2-4-6;2-1(3)4/h1-4H,(H3,10,11,12);(H,2,3,4)
InChIKeyGAOBCUUSOZHNJM-UHFFFAOYSA-N
XLogP1.36
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.62
LogP ≤ 51.36
H-Bond Donors ≤ 53
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-fluoro-1-(4-methylphenyl)guanidine;nitric acid
CID 173196737
N'-(4-fluorophenyl)propanediamide
CID 18174009
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
fluorobenzene;bis(nitric acid)
CID 88837609
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
CID 21492995
2-[3-(4-fluorophenoxy)propyl]guanidine;nitric acid
CID 117067493
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
2-[3-(4-fluorophenoxy)propoxy]guanidine;nitric acid
CID 117067931
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid?
The IUPAC name of 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid (CID 173196722) is 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid.
What is the SMILES notation for 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid?
The canonical SMILES for 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid is NC(=NCl)Nc1ccc(F)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid?
The InChIKey is GAOBCUUSOZHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3.HNO3/c8-12-7(10)11-6-3-1-5(9)2-4-6;2-1(3)4/h1-4H,(H3,10,11,12);(H,2,3,4).
What are the key properties of 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid?
2-chloro-1-(4-fluorophenyl)guanidine;nitric acid has a molecular weight of 250.62 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluorophenyl)guanidine;nitric acid is sourced from PubChem (CID 173196722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).