(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine

C12H11BrClN3O — CID 113421651

IUPAC(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3
InChIKeyPTCCDEXJMXZPGJ-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.95
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine

(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 113421651) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID113421651
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3
InChIKeyPTCCDEXJMXZPGJ-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
CID 107994970
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515565
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332597
(5-chlorothiophen-2-yl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031917
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine (CID 113421651) is (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine is COc1nccnc1C(N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is PTCCDEXJMXZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-18-12-11(16-4-5-17-12)10(15)7-2-3-9(14)8(13)6-7/h2-6,10H,15H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine?
(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 328.60 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 113421651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).