N-(5-fluoro-2-nitrophenyl)pyridin-3-amine

C11H8FN3O2 — CID 58459332

IUPACN-(5-fluoro-2-nitrophenyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(F)cc1Nc1cccnc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-4-11(15(16)17)10(6-8)14-9-2-1-5-13-7-9/h1-7,14H
InChIKeyKCCCDLIAYWFRHH-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.87
Rot. Bonds3

About N-(5-fluoro-2-nitrophenyl)pyridin-3-amine

N-(5-fluoro-2-nitrophenyl)pyridin-3-amine (PubChem CID 58459332) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)pyridin-3-amine
PubChem CID58459332
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(5-fluoro-2-nitrophenyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(F)cc1Nc1cccnc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-4-11(15(16)17)10(6-8)14-9-2-1-5-13-7-9/h1-7,14H
InChIKeyKCCCDLIAYWFRHH-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

5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
CID 58459318
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902
3-nitro-4-(pyridin-3-ylamino)benzonitrile
CID 58408467
2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine
CID 174864199
4-fluoro-2-(pyridin-3-ylamino)benzoic acid
CID 139804655
3-N-[2-(4-methylanilino)phenyl]-4,6-dinitro-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 71504070
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
CID 18994149
5-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 58459238
N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 43443599
4-fluoro-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43222089
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)pyridin-3-amine (CID 58459332) is N-(5-fluoro-2-nitrophenyl)pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)pyridin-3-amine is O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)pyridin-3-amine?
The InChIKey is KCCCDLIAYWFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-4-11(15(16)17)10(6-8)14-9-2-1-5-13-7-9/h1-7,14H.
What are the key properties of N-(5-fluoro-2-nitrophenyl)pyridin-3-amine?
N-(5-fluoro-2-nitrophenyl)pyridin-3-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-(5-fluoro-2-nitrophenyl)pyridin-3-amine is sourced from PubChem (CID 58459332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).