N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine

C15H16FN3O3 — CID 69397263

IUPACN-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16FN3O3/c1-2-22-10-9-17-15-14(19(20)21)8-7-13(18-15)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGBKBVXZQXHFNOU-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.24
Rot. Bonds7

About N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine

N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine (PubChem CID 69397263) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine
PubChem CID69397263
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16FN3O3/c1-2-22-10-9-17-15-14(19(20)21)8-7-13(18-15)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGBKBVXZQXHFNOU-UHFFFAOYSA-N
XLogP3.24
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine (CID 69397263) is N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine is CCOCCNc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine?
The InChIKey is GBKBVXZQXHFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-22-10-9-17-15-14(19(20)21)8-7-13(18-15)11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine?
N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine has a molecular weight of 305.31 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-(4-fluorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 69397263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).