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

C14H14FN3O2 — CID 81138476

IUPACN-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-10-5-6-13(18(19)20)14(17-10)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyBHWZLKBNENOQPH-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.09
Rot. Bonds5

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

N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine (PubChem CID 81138476) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
PubChem CID81138476
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-10-5-6-13(18(19)20)14(17-10)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyBHWZLKBNENOQPH-UHFFFAOYSA-N
XLogP3.09
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.09
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-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-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

N-[2-(3,5-difluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81139764
N-[2-(3-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 62911771
2-N-[2-(3,5-difluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80803855
4-N-[2-(3-fluorophenyl)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 38741029
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
CID 81138577
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 81138714
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
N-[2-(3-chlorophenyl)ethyl]-3-nitropyridin-2-amine
CID 9250600
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine (CID 81138476) is N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCc2cccc(F)c2)n1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine?
The InChIKey is BHWZLKBNENOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-10-5-6-13(18(19)20)14(17-10)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine?
N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81138476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).