5-(1,1-difluoropropyl)pyrazine-2-carbonitrile

C8H7F2N3 — CID 135303474

IUPAC5-(1,1-difluoropropyl)pyrazine-2-carbonitrile
SMILESCCC(F)(F)c1cnc(C#N)cn1
InChIInChI=1S/C8H7F2N3/c1-2-8(9,10)7-5-12-6(3-11)4-13-7/h4-5H,2H2,1H3
InChIKeyCYAPYFPSBKFZNG-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.85
Rot. Bonds2

About 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile

5-(1,1-difluoropropyl)pyrazine-2-carbonitrile (PubChem CID 135303474) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)pyrazine-2-carbonitrile
PubChem CID135303474
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name5-(1,1-difluoropropyl)pyrazine-2-carbonitrile
SMILESCCC(F)(F)c1cnc(C#N)cn1
InChIInChI=1S/C8H7F2N3/c1-2-8(9,10)7-5-12-6(3-11)4-13-7/h4-5H,2H2,1H3
InChIKeyCYAPYFPSBKFZNG-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile 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-(1,1-difluoropropyl)-5-ethenylpyrazine
CID 145255329
5-propylpyrazine-2-carbonitrile
CID 20725734
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
CID 133484054
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
CID 107865811
azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane
CID 145255290
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
5-(methoxymethyl)pyrazine-2-carbonitrile
CID 167478287
5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
CID 135303516
2-(1,1-difluoropropyl)pyridine
CID 59088790
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile (CID 135303474) is 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile is CCC(F)(F)c1cnc(C#N)cn1.
What is the InChIKey of 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile?
The InChIKey is CYAPYFPSBKFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c1-2-8(9,10)7-5-12-6(3-11)4-13-7/h4-5H,2H2,1H3.
What are the key properties of 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile?
5-(1,1-difluoropropyl)pyrazine-2-carbonitrile has a molecular weight of 183.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 135303474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).