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

C8H6F3N3 — CID 118823604

IUPAC2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(N)cc(F)nc1C(F)F
InChIInChI=1S/C8H6F3N3/c9-6-3-5(13)4(1-2-12)7(14-6)8(10)11/h3,8H,1H2,(H2,13,14)
InChIKeyVQEIEPHFUDRNGA-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.81
Rot. Bonds2

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

2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile (PubChem CID 118823604) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
PubChem CID118823604
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(N)cc(F)nc1C(F)F
InChIInChI=1S/C8H6F3N3/c9-6-3-5(13)4(1-2-12)7(14-6)8(10)11/h3,8H,1H2,(H2,13,14)
InChIKeyVQEIEPHFUDRNGA-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-2-(difluoromethyl)-6-fluoro-3-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-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
4-(cyanomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134662530
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile (CID 118823604) is 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile is N#CCc1c(N)cc(F)nc1C(F)F.
What is the InChIKey of 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is VQEIEPHFUDRNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-6-3-5(13)4(1-2-12)7(14-6)8(10)11/h3,8H,1H2,(H2,13,14).
What are the key properties of 2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-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-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118823604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).