N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine

C8H10FN3O3 — CID 23572217

IUPACN-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCF)n1
InChIInChI=1S/C8H10FN3O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyUETSQYAFCRNUHU-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.38
Rot. Bonds5

About N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine

N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 23572217) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID23572217
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC NameN-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCF)n1
InChIInChI=1S/C8H10FN3O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyUETSQYAFCRNUHU-UHFFFAOYSA-N
XLogP1.38
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine (CID 23572217) is N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCCF)n1.
What is the InChIKey of N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is UETSQYAFCRNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine?
N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 215.18 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 23572217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).