N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine

C10H14FN3O3 — CID 118699450

IUPACN-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(NCCF)n1
InChIInChI=1S/C10H14FN3O3/c1-7(2)17-9-4-3-8(14(15)16)10(13-9)12-6-5-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyXVBKRCIWUXBEKG-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.16
Rot. Bonds6

About N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine

N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine (PubChem CID 118699450) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine
PubChem CID118699450
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC NameN-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(NCCF)n1
InChIInChI=1S/C10H14FN3O3/c1-7(2)17-9-4-3-8(14(15)16)10(13-9)12-6-5-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyXVBKRCIWUXBEKG-UHFFFAOYSA-N
XLogP2.16
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.16
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)-3-nitro-6-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine (CID 118699450) is N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine is CC(C)Oc1ccc([N+](=O)[O-])c(NCCF)n1.
What is the InChIKey of N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine?
The InChIKey is XVBKRCIWUXBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-7(2)17-9-4-3-8(14(15)16)10(13-9)12-6-5-11/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine?
N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine has a molecular weight of 243.24 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 118699450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).