6-(2-bromophenyl)-N-methylpyrazin-2-amine

C11H10BrN3 — CID 115503726

IUPAC6-(2-bromophenyl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c1-13-11-7-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,15)
InChIKeyJILRCZXCEKSCKX-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.95
Rot. Bonds2

About 6-(2-bromophenyl)-N-methylpyrazin-2-amine

6-(2-bromophenyl)-N-methylpyrazin-2-amine (PubChem CID 115503726) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-methylpyrazin-2-amine
PubChem CID115503726
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name6-(2-bromophenyl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c1-13-11-7-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,15)
InChIKeyJILRCZXCEKSCKX-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(2-bromophenyl)-N-methylpyrazin-2-amine (CID 115503726) is 6-(2-bromophenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-methylpyrazin-2-amine is CNc1cncc(-c2ccccc2Br)n1.
What is the InChIKey of 6-(2-bromophenyl)-N-methylpyrazin-2-amine?
The InChIKey is JILRCZXCEKSCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-13-11-7-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,15).
What are the key properties of 6-(2-bromophenyl)-N-methylpyrazin-2-amine?
6-(2-bromophenyl)-N-methylpyrazin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 115503726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).