N-ethyl-6-fluoro-3-nitropyridin-2-amine

C7H8FN3O2 — CID 18466616

IUPACN-ethyl-6-fluoro-3-nitropyridin-2-amine
SMILESCCNc1nc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H8FN3O2/c1-2-9-7-5(11(12)13)3-4-6(8)10-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyOPLNTLACBQACFX-UHFFFAOYSA-N
MW185.16 g/mol
LogP1.56
Rot. Bonds3

About N-ethyl-6-fluoro-3-nitropyridin-2-amine

N-ethyl-6-fluoro-3-nitropyridin-2-amine (PubChem CID 18466616) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is N-ethyl-6-fluoro-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-3-nitropyridin-2-amine
PubChem CID18466616
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC NameN-ethyl-6-fluoro-3-nitropyridin-2-amine
SMILESCCNc1nc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H8FN3O2/c1-2-9-7-5(11(12)13)3-4-6(8)10-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyOPLNTLACBQACFX-UHFFFAOYSA-N
XLogP1.56
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-6-fluoro-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-3-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-fluoro-3-nitropyridin-2-amine (CID 18466616) is N-ethyl-6-fluoro-3-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-fluoro-3-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-fluoro-3-nitropyridin-2-amine is CCNc1nc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-fluoro-3-nitropyridin-2-amine?
The InChIKey is OPLNTLACBQACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-2-9-7-5(11(12)13)3-4-6(8)10-7/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of N-ethyl-6-fluoro-3-nitropyridin-2-amine?
N-ethyl-6-fluoro-3-nitropyridin-2-amine has a molecular weight of 185.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-3-nitropyridin-2-amine is sourced from PubChem (CID 18466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).