N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine

C13H12FN3O2 — CID 43443599

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CNCc1cccnc1
InChIInChI=1S/C13H12FN3O2/c14-12-3-4-13(17(18)19)11(6-12)9-16-8-10-2-1-5-15-7-10/h1-7,16H,8-9H2
InChIKeyMIBRIHSXGIUFPI-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.42
Rot. Bonds5

About N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 43443599) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID43443599
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CNCc1cccnc1
InChIInChI=1S/C13H12FN3O2/c14-12-3-4-13(17(18)19)11(6-12)9-16-8-10-2-1-5-15-7-10/h1-7,16H,8-9H2
InChIKeyMIBRIHSXGIUFPI-UHFFFAOYSA-N
XLogP2.42
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.42
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'}

Analyze N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
N-[(2,4-dinitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66222624
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-3-ylmethanamine
CID 63248080
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62990430
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine (CID 43443599) is N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine is O=[N+]([O-])c1ccc(F)cc1CNCc1cccnc1.
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is MIBRIHSXGIUFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-12-3-4-13(17(18)19)11(6-12)9-16-8-10-2-1-5-15-7-10/h1-7,16H,8-9H2.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 261.26 g/mol, XLogP of 2.42, 5 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)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 43443599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).