2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol

C13H13BrN2O — CID 61389966

IUPAC2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1c(Br)cccc1CNCc1ccccn1
InChIInChI=1S/C13H13BrN2O/c14-12-6-3-4-10(13(12)17)8-15-9-11-5-1-2-7-16-11/h1-7,15,17H,8-9H2
InChIKeyULZGOMCIRHGPNQ-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.84
Rot. Bonds4

About 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol

2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol (PubChem CID 61389966) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
PubChem CID61389966
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1c(Br)cccc1CNCc1ccccn1
InChIInChI=1S/C13H13BrN2O/c14-12-6-3-4-10(13(12)17)8-15-9-11-5-1-2-7-16-11/h1-7,15,17H,8-9H2
InChIKeyULZGOMCIRHGPNQ-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391
azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
CID 54576515
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol (CID 61389966) is 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol is Oc1c(Br)cccc1CNCc1ccccn1.
What is the InChIKey of 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol?
The InChIKey is ULZGOMCIRHGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-6-3-4-10(13(12)17)8-15-9-11-5-1-2-7-16-11/h1-7,15,17H,8-9H2.
What are the key properties of 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol?
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol has a molecular weight of 293.16 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 61389966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).