3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol

C10H15BrN2O2 — CID 112582471

IUPAC3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O2/c1-10(15,7-14)6-12-5-8-3-2-4-9(11)13-8/h2-4,12,14-15H,5-7H2,1H3
InChIKeyYPSFGGRYPRVAAF-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.68
Rot. Bonds5

About 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol

3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 112582471) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
PubChem CID112582471
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O2/c1-10(15,7-14)6-12-5-8-3-2-4-9(11)13-8/h2-4,12,14-15H,5-7H2,1H3
InChIKeyYPSFGGRYPRVAAF-UHFFFAOYSA-N
XLogP0.68
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
CID 105057817
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
2-[(6-bromo-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 112581940
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine
CID 20679715
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol (CID 112582471) is 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1cccc(Br)n1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is YPSFGGRYPRVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(15,7-14)6-12-5-8-3-2-4-9(11)13-8/h2-4,12,14-15H,5-7H2,1H3.
What are the key properties of 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol?
3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 275.15 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 112582471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).