N-(4-fluorophenyl)-5-nitropyridin-2-amine

C11H8FN3O2 — CID 3146297

IUPACN-(4-fluorophenyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h1-7H,(H,13,14)
InChIKeyOBQWTLGQUGDWCT-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.87
Rot. Bonds3

About N-(4-fluorophenyl)-5-nitropyridin-2-amine

N-(4-fluorophenyl)-5-nitropyridin-2-amine (PubChem CID 3146297) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-nitropyridin-2-amine
PubChem CID3146297
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(4-fluorophenyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h1-7H,(H,13,14)
InChIKeyOBQWTLGQUGDWCT-UHFFFAOYSA-N
XLogP2.87
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
4-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2842438
N-[4-(1-adamantyl)phenyl]-5-nitropyridin-2-amine
CID 4764010
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
CID 175390185
(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
CID 95624699
N-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18290214
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
[(1S)-1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl] N-tert-butylcarbamate
CID 175390180
5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridin-2-amine
CID 24623556

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-nitropyridin-2-amine (CID 3146297) is N-(4-fluorophenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-5-nitropyridin-2-amine?
The InChIKey is OBQWTLGQUGDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h1-7H,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-5-nitropyridin-2-amine?
N-(4-fluorophenyl)-5-nitropyridin-2-amine has a molecular weight of 233.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 3146297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).