N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine

C13H12FN3O2 — CID 60631383

IUPACN-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
SMILESCC(Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F
InChIInChI=1S/C13H12FN3O2/c1-9(11-4-2-3-5-12(11)14)16-10-6-7-13(15-8-10)17(18)19/h2-9,16H,1H3
InChIKeyUVVOXTAEERMBSK-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine

N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine (PubChem CID 60631383) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
PubChem CID60631383
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
SMILESCC(Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F
InChIInChI=1S/C13H12FN3O2/c1-9(11-4-2-3-5-12(11)14)16-10-6-7-13(15-8-10)17(18)19/h2-9,16H,1H3
InChIKeyUVVOXTAEERMBSK-UHFFFAOYSA-N
XLogP3.30
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.30
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-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine 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

6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 60631531
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
CID 94392449
N-[1-(2-fluorophenyl)ethyl]-3-methyl-5-nitroaniline
CID 115981308
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 103828365
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
4-N-[1-(2-fluorophenyl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 80802205
2,6-dichloro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 106891498

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine (CID 60631383) is N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine is CC(Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine?
The InChIKey is UVVOXTAEERMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-9(11-4-2-3-5-12(11)14)16-10-6-7-13(15-8-10)17(18)19/h2-9,16H,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine?
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine has a molecular weight of 261.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 60631383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).