5-(difluoromethoxy)-6-nitropyridin-3-amine

C6H5F2N3O3 — CID 19035000

IUPAC5-(difluoromethoxy)-6-nitropyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(OC(F)F)c1
InChIInChI=1S/C6H5F2N3O3/c7-6(8)14-4-1-3(9)2-10-5(4)11(12)13/h1-2,6H,9H2
InChIKeyGZDAOGBSIRRANG-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.17
Rot. Bonds3

About 5-(difluoromethoxy)-6-nitropyridin-3-amine

5-(difluoromethoxy)-6-nitropyridin-3-amine (PubChem CID 19035000) has the molecular formula C6H5F2N3O3 and a molecular weight of 205.12 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-nitropyridin-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-nitropyridin-3-amine
PubChem CID19035000
Molecular FormulaC6H5F2N3O3
Molecular Weight205.12 g/mol
Exact Mass205.03
IUPAC Name5-(difluoromethoxy)-6-nitropyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(OC(F)F)c1
InChIInChI=1S/C6H5F2N3O3/c7-6(8)14-4-1-3(9)2-10-5(4)11(12)13/h1-2,6H,9H2
InChIKeyGZDAOGBSIRRANG-UHFFFAOYSA-N
XLogP1.17
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 51.17
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 5-(difluoromethoxy)-6-nitropyridin-3-amine?
The IUPAC name of 5-(difluoromethoxy)-6-nitropyridin-3-amine (CID 19035000) is 5-(difluoromethoxy)-6-nitropyridin-3-amine.
What is the SMILES notation for 5-(difluoromethoxy)-6-nitropyridin-3-amine?
The canonical SMILES for 5-(difluoromethoxy)-6-nitropyridin-3-amine is Nc1cnc([N+](=O)[O-])c(OC(F)F)c1.
What is the InChIKey of 5-(difluoromethoxy)-6-nitropyridin-3-amine?
The InChIKey is GZDAOGBSIRRANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O3/c7-6(8)14-4-1-3(9)2-10-5(4)11(12)13/h1-2,6H,9H2.
What are the key properties of 5-(difluoromethoxy)-6-nitropyridin-3-amine?
5-(difluoromethoxy)-6-nitropyridin-3-amine has a molecular weight of 205.12 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-nitropyridin-3-amine is sourced from PubChem (CID 19035000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).