6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine

C12H11ClFN3 — CID 54943226

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1cncc(Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-17(12-7-15-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
InChIKeyOOWJWVVFOWOCIK-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine

6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine (PubChem CID 54943226) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
PubChem CID54943226
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1cncc(Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-17(12-7-15-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
InChIKeyOOWJWVVFOWOCIK-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine (CID 54943226) is 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine is CN(Cc1ccc(F)cc1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is OOWJWVVFOWOCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-17(12-7-15-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine?
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 54943226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).