6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine

C12H10ClF2N3O — CID 175203683

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1
InChIInChI=1S/C12H10ClF2N3O/c1-16-11-6-17-5-9(18-11)7-2-3-8(13)10(4-7)19-12(14)15/h2-6,12H,1H3,(H,16,18)
InChIKeyNLJBFUAMRJNADS-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.44
Rot. Bonds4

About 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine

6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine (PubChem CID 175203683) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine
PubChem CID175203683
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1
InChIInChI=1S/C12H10ClF2N3O/c1-16-11-6-17-5-9(18-11)7-2-3-8(13)10(4-7)19-12(14)15/h2-6,12H,1H3,(H,16,18)
InChIKeyNLJBFUAMRJNADS-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine (CID 175203683) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine is CNc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The InChIKey is NLJBFUAMRJNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-16-11-6-17-5-9(18-11)7-2-3-8(13)10(4-7)19-12(14)15/h2-6,12H,1H3,(H,16,18).
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine has a molecular weight of 285.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 175203683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).