2-(difluoromethoxy)-1H-pyridin-2-amine

C6H8F2N2O — CID 150558154

IUPAC2-(difluoromethoxy)-1H-pyridin-2-amine
SMILESNC1(OC(F)F)C=CC=CN1
InChIInChI=1S/C6H8F2N2O/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H,9H2
InChIKeyIJGQEDIEFBDWJW-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.51
Rot. Bonds2

About 2-(difluoromethoxy)-1H-pyridin-2-amine

2-(difluoromethoxy)-1H-pyridin-2-amine (PubChem CID 150558154) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-1H-pyridin-2-amine
PubChem CID150558154
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(difluoromethoxy)-1H-pyridin-2-amine
SMILESNC1(OC(F)F)C=CC=CN1
InChIInChI=1S/C6H8F2N2O/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H,9H2
InChIKeyIJGQEDIEFBDWJW-UHFFFAOYSA-N
XLogP0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1H-pyridin-2-amine?
The IUPAC name of 2-(difluoromethoxy)-1H-pyridin-2-amine (CID 150558154) is 2-(difluoromethoxy)-1H-pyridin-2-amine.
What is the SMILES notation for 2-(difluoromethoxy)-1H-pyridin-2-amine?
The canonical SMILES for 2-(difluoromethoxy)-1H-pyridin-2-amine is NC1(OC(F)F)C=CC=CN1.
What is the InChIKey of 2-(difluoromethoxy)-1H-pyridin-2-amine?
The InChIKey is IJGQEDIEFBDWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H,9H2.
What are the key properties of 2-(difluoromethoxy)-1H-pyridin-2-amine?
2-(difluoromethoxy)-1H-pyridin-2-amine has a molecular weight of 162.14 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1H-pyridin-2-amine is sourced from PubChem (CID 150558154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).