3,6-difluoro-5-(methoxymethyl)pyridin-2-amine

C7H8F2N2O — CID 171649971

IUPAC3,6-difluoro-5-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(F)c(N)nc1F
InChIInChI=1S/C7H8F2N2O/c1-12-3-4-2-5(8)7(10)11-6(4)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKHEZJLPEVPPPNS-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.09
Rot. Bonds2

About 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine

3,6-difluoro-5-(methoxymethyl)pyridin-2-amine (PubChem CID 171649971) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,6-difluoro-5-(methoxymethyl)pyridin-2-amine
PubChem CID171649971
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3,6-difluoro-5-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(F)c(N)nc1F
InChIInChI=1S/C7H8F2N2O/c1-12-3-4-2-5(8)7(10)11-6(4)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKHEZJLPEVPPPNS-UHFFFAOYSA-N
XLogP1.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine?
The IUPAC name of 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine (CID 171649971) is 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine.
What is the SMILES notation for 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine?
The canonical SMILES for 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine is COCc1cc(F)c(N)nc1F.
What is the InChIKey of 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine?
The InChIKey is KHEZJLPEVPPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-12-3-4-2-5(8)7(10)11-6(4)9/h2H,3H2,1H3,(H2,10,11).
What are the key properties of 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine?
3,6-difluoro-5-(methoxymethyl)pyridin-2-amine has a molecular weight of 174.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-5-(methoxymethyl)pyridin-2-amine is sourced from PubChem (CID 171649971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).