N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide

C7H4F2N4O2 — CID 168891196

IUPACN-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide
SMILESN#Cc1nc(NC=O)cnc1OC(F)F
InChIInChI=1S/C7H4F2N4O2/c8-7(9)15-6-4(1-10)13-5(2-11-6)12-3-14/h2-3,7H,(H,12,13,14)
InChIKeyFJYMRZLEAYDDSE-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.52
Rot. Bonds4

About N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide

N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide (PubChem CID 168891196) has the molecular formula C7H4F2N4O2 and a molecular weight of 214.13 g/mol. Its IUPAC name is N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide
PubChem CID168891196
Molecular FormulaC7H4F2N4O2
Molecular Weight214.13 g/mol
Exact Mass214.03
IUPAC NameN-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide
SMILESN#Cc1nc(NC=O)cnc1OC(F)F
InChIInChI=1S/C7H4F2N4O2/c8-7(9)15-6-4(1-10)13-5(2-11-6)12-3-14/h2-3,7H,(H,12,13,14)
InChIKeyFJYMRZLEAYDDSE-UHFFFAOYSA-N
XLogP0.52
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide?
The IUPAC name of N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide (CID 168891196) is N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide is N#Cc1nc(NC=O)cnc1OC(F)F.
What is the InChIKey of N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide?
The InChIKey is FJYMRZLEAYDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O2/c8-7(9)15-6-4(1-10)13-5(2-11-6)12-3-14/h2-3,7H,(H,12,13,14).
What are the key properties of N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide?
N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide has a molecular weight of 214.13 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(difluoromethoxy)pyrazin-2-yl]formamide is sourced from PubChem (CID 168891196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).