5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine

C11H7BrClF2N3O — CID 21111490

IUPAC5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C11H7BrClF2N3O/c12-8-3-17-10(16)11(18-8)19-4-5-6(14)1-2-7(15)9(5)13/h1-3H,4H2,(H2,16,17)
InChIKeyPHTHPQZDBKXSJF-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine

5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine (PubChem CID 21111490) has the molecular formula C11H7BrClF2N3O and a molecular weight of 350.55 g/mol. Its IUPAC name is 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
PubChem CID21111490
Molecular FormulaC11H7BrClF2N3O
Molecular Weight350.55 g/mol
Exact Mass348.94
IUPAC Name5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C11H7BrClF2N3O/c12-8-3-17-10(16)11(18-8)19-4-5-6(14)1-2-7(15)9(5)13/h1-3H,4H2,(H2,16,17)
InChIKeyPHTHPQZDBKXSJF-UHFFFAOYSA-N
XLogP3.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-Chlorophenyl)methoxy]-2-fluoro-5-piperazin-1-ylpyrazine
CID 9880226
5-bromo-3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyrazin-2-ylamine
CID 11531027
5-Bromo-3-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyrazin-2-ylamine
CID 21111477
5-Bromo-3-[1-(2-chloro-3,6-difluoro-phenyl)-2-methyl-propoxy]-pyrazin-2-ylamine
CID 21111481
5-Bromo-3-[1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-pyrazin-2-ylamine
CID 21111482
5-Bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine
CID 21111496
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide
CID 23075739
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
CID 68520327
5-Bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine
CID 87410788
5-Bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
CID 87524762
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 87930899
CID 88999359
CID 88999359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine (CID 21111490) is 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine is Nc1ncc(Br)nc1OCc1c(F)ccc(F)c1Cl.
What is the InChIKey of 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
The InChIKey is PHTHPQZDBKXSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2N3O/c12-8-3-17-10(16)11(18-8)19-4-5-6(14)1-2-7(15)9(5)13/h1-3H,4H2,(H2,16,17).
What are the key properties of 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine?
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine has a molecular weight of 350.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 21111490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).