N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine

C10H13F2N3O3 — CID 56789650

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine
SMILESCOCCN(CC(F)F)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13F2N3O3/c1-18-6-5-14(7-9(11)12)10-8(15(16)17)3-2-4-13-10/h2-4,9H,5-7H2,1H3
InChIKeyCYUPUSHVOZRDMB-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.71
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine (PubChem CID 56789650) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine
PubChem CID56789650
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine
SMILESCOCCN(CC(F)F)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13F2N3O3/c1-18-6-5-14(7-9(11)12)10-8(15(16)17)3-2-4-13-10/h2-4,9H,5-7H2,1H3
InChIKeyCYUPUSHVOZRDMB-UHFFFAOYSA-N
XLogP1.71
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
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-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine (CID 56789650) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine is COCCN(CC(F)F)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine?
The InChIKey is CYUPUSHVOZRDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-18-6-5-14(7-9(11)12)10-8(15(16)17)3-2-4-13-10/h2-4,9H,5-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine has a molecular weight of 261.23 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 56789650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).