4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol

C13H13BrN2O — CID 115978503

IUPAC4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cccc(Br)n2)cc1
InChIInChI=1S/C13H13BrN2O/c14-13-3-1-2-11(16-13)9-15-8-10-4-6-12(17)7-5-10/h1-7,15,17H,8-9H2
InChIKeyKJPJWIRCLWHBNG-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.84
Rot. Bonds4

About 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol

4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol (PubChem CID 115978503) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
PubChem CID115978503
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cccc(Br)n2)cc1
InChIInChI=1S/C13H13BrN2O/c14-13-3-1-2-11(16-13)9-15-8-10-4-6-12(17)7-5-10/h1-7,15,17H,8-9H2
InChIKeyKJPJWIRCLWHBNG-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 112582506
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112582414
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
CID 112582471
4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
CID 115603316

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol (CID 115978503) is 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol is Oc1ccc(CNCc2cccc(Br)n2)cc1.
What is the InChIKey of 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol?
The InChIKey is KJPJWIRCLWHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-13-3-1-2-11(16-13)9-15-8-10-4-6-12(17)7-5-10/h1-7,15,17H,8-9H2.
What are the key properties of 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol?
4-[[(6-bromo-2-pyridinyl)methylamino]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 4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 115978503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).