3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine

C11H8ClF2N3 — CID 121204707

IUPAC3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cccc(F)c1CNc1nccnc1Cl
InChIInChI=1S/C11H8ClF2N3/c12-10-11(16-5-4-15-10)17-6-7-8(13)2-1-3-9(7)14/h1-5H,6H2,(H,16,17)
InChIKeyDSYPJXYZEXPUCC-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine

3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine (PubChem CID 121204707) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine
PubChem CID121204707
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cccc(F)c1CNc1nccnc1Cl
InChIInChI=1S/C11H8ClF2N3/c12-10-11(16-5-4-15-10)17-6-7-8(13)2-1-3-9(7)14/h1-5H,6H2,(H,16,17)
InChIKeyDSYPJXYZEXPUCC-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine (CID 121204707) is 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine is Fc1cccc(F)c1CNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is DSYPJXYZEXPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-10-11(16-5-4-15-10)17-6-7-8(13)2-1-3-9(7)14/h1-5H,6H2,(H,16,17).
What are the key properties of 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine?
3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 255.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 121204707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).