2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol

C11H10BrN3O — CID 53250722

IUPAC2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
SMILESOc1ccccc1CNc1cncc(Br)n1
InChIInChI=1S/C11H10BrN3O/c12-10-6-13-7-11(15-10)14-5-8-3-1-2-4-9(8)16/h1-4,6-7,16H,5H2,(H,14,15)
InChIKeyOAEVXBDAPAACDU-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.56
Rot. Bonds3

About 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol

2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol (PubChem CID 53250722) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
PubChem CID53250722
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
SMILESOc1ccccc1CNc1cncc(Br)n1
InChIInChI=1S/C11H10BrN3O/c12-10-6-13-7-11(15-10)14-5-8-3-1-2-4-9(8)16/h1-4,6-7,16H,5H2,(H,14,15)
InChIKeyOAEVXBDAPAACDU-UHFFFAOYSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
CID 78988997
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
CID 90412213
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
2-[[(6-bromo-4-methyl-2-pyridinyl)amino]methyl]phenol;2-[[(6-chloro-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 162150441
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 75470151
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187
2-[[(5-bromo-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 103911742
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725
2-[(2,4,6-tribromoanilino)methyl]phenol
CID 28991854

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol (CID 53250722) is 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol is Oc1ccccc1CNc1cncc(Br)n1.
What is the InChIKey of 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol?
The InChIKey is OAEVXBDAPAACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-10-6-13-7-11(15-10)14-5-8-3-1-2-4-9(8)16/h1-4,6-7,16H,5H2,(H,14,15).
What are the key properties of 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol?
2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol has a molecular weight of 280.12 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 53250722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).