4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile

C8H7F2N3O — CID 137377709

IUPAC4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)cc(OCC(F)F)n1
InChIInChI=1S/C8H7F2N3O/c9-7(10)4-14-8-2-5(12)1-6(3-11)13-8/h1-2,7H,4H2,(H2,12,13)
InChIKeyKVSRCOPSWFGYRS-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.18
Rot. Bonds3

About 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile

4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile (PubChem CID 137377709) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
PubChem CID137377709
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)cc(OCC(F)F)n1
InChIInChI=1S/C8H7F2N3O/c9-7(10)4-14-8-2-5(12)1-6(3-11)13-8/h1-2,7H,4H2,(H2,12,13)
InChIKeyKVSRCOPSWFGYRS-UHFFFAOYSA-N
XLogP1.18
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile (CID 137377709) is 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile is N#Cc1cc(N)cc(OCC(F)F)n1.
What is the InChIKey of 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
The InChIKey is KVSRCOPSWFGYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-7(10)4-14-8-2-5(12)1-6(3-11)13-8/h1-2,7H,4H2,(H2,12,13).
What are the key properties of 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile?
4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,2-difluoroethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 137377709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).