(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

C12H10BrF2N3O — CID 107538859

IUPAC(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H10BrF2N3O/c1-19-12-11(17-4-5-18-12)10(16)6-2-3-7(14)9(15)8(6)13/h2-5,10H,16H2,1H3
InChIKeyDMPIVHWTRMZFLC-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.57
Rot. Bonds3

About (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine

(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 107538859) has the molecular formula C12H10BrF2N3O and a molecular weight of 330.13 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID107538859
Molecular FormulaC12H10BrF2N3O
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC Name(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C12H10BrF2N3O/c1-19-12-11(17-4-5-18-12)10(16)6-2-3-7(14)9(15)8(6)13/h2-5,10H,16H2,1H3
InChIKeyDMPIVHWTRMZFLC-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105032053
(2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515551
(2,6-dimethyl-3-pyridinyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105178660
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515565
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 107538784
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 103852505
(3-methoxypyrazin-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 104515940
3-[amino-(2-bromo-3,4-difluorophenyl)methyl]-5-chloropyridin-2-amine
CID 107538682

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine (CID 107538859) is (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is COc1nccnc1C(N)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is DMPIVHWTRMZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O/c1-19-12-11(17-4-5-18-12)10(16)6-2-3-7(14)9(15)8(6)13/h2-5,10H,16H2,1H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
(2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 330.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 107538859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).