2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile

C8H6F3N3 — CID 118817715

IUPAC2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(N)c1C(F)F
InChIInChI=1S/C8H6F3N3/c9-6-3-4(13)7(8(10)11)5(14-6)1-2-12/h3,8H,1H2,(H2,13,14)
InChIKeyRGDYFWKKVCCESE-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.81
Rot. Bonds2

About 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile

2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile (PubChem CID 118817715) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
PubChem CID118817715
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(N)c1C(F)F
InChIInChI=1S/C8H6F3N3/c9-6-3-4(13)7(8(10)11)5(14-6)1-2-12/h3,8H,1H2,(H2,13,14)
InChIKeyRGDYFWKKVCCESE-UHFFFAOYSA-N
XLogP1.81
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
CID 130081079
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 118823604
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[6-(bromomethyl)-4-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075144

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile (CID 118817715) is 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile is N#CCc1nc(F)cc(N)c1C(F)F.
What is the InChIKey of 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is RGDYFWKKVCCESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-6-3-4(13)7(8(10)11)5(14-6)1-2-12/h3,8H,1H2,(H2,13,14).
What are the key properties of 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile?
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118817715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).