N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine

C7H8ClF2N3 — CID 130571050

IUPACN-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine
SMILESFC(F)c1nccnc1NCCCl
InChIInChI=1S/C7H8ClF2N3/c8-1-2-12-7-5(6(9)10)11-3-4-13-7/h3-4,6H,1-2H2,(H,12,13)
InChIKeyNIISWCTWSWJHBJ-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.06
Rot. Bonds4

About N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine

N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine (PubChem CID 130571050) has the molecular formula C7H8ClF2N3 and a molecular weight of 207.61 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine
PubChem CID130571050
Molecular FormulaC7H8ClF2N3
Molecular Weight207.61 g/mol
Exact Mass207.04
IUPAC NameN-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine
SMILESFC(F)c1nccnc1NCCCl
InChIInChI=1S/C7H8ClF2N3/c8-1-2-12-7-5(6(9)10)11-3-4-13-7/h3-4,6H,1-2H2,(H,12,13)
InChIKeyNIISWCTWSWJHBJ-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine (CID 130571050) is N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine is FC(F)c1nccnc1NCCCl.
What is the InChIKey of N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine?
The InChIKey is NIISWCTWSWJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3/c8-1-2-12-7-5(6(9)10)11-3-4-13-7/h3-4,6H,1-2H2,(H,12,13).
What are the key properties of N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine?
N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine has a molecular weight of 207.61 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130571050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).