1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol

C9H13BrN2O3 — CID 171859985

IUPAC1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
SMILESCOc1ccc(N)c(C(O)C(O)CBr)n1
InChIInChI=1S/C9H13BrN2O3/c1-15-7-3-2-5(11)8(12-7)9(14)6(13)4-10/h2-3,6,9,13-14H,4,11H2,1H3
InChIKeyGFZICHFSZKRKGJ-UHFFFAOYSA-N
MW277.12 g/mol
LogP0.46
Rot. Bonds4

About 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol

1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol (PubChem CID 171859985) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
PubChem CID171859985
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
SMILESCOc1ccc(N)c(C(O)C(O)CBr)n1
InChIInChI=1S/C9H13BrN2O3/c1-15-7-3-2-5(11)8(12-7)9(14)6(13)4-10/h2-3,6,9,13-14H,4,11H2,1H3
InChIKeyGFZICHFSZKRKGJ-UHFFFAOYSA-N
XLogP0.46
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857956
4-(3-amino-6-methoxy-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171899177
3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
CID 171860100
benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855925
1-(4-amino-2,3-dimethylphenyl)-3-bromopropane-1,2-diol
CID 171860042
1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
CID 171891657
1-(5-amino-6-methoxy-3-pyridinyl)-3-bromopropane-1,2-diol
CID 171859982
2-[1-(3-amino-6-methoxy-2-pyridinyl)pentylamino]ethanol
CID 69335997
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
6-bromo-2-propan-2-ylpyridin-3-amine
CID 141017784
5-iodo-2-methoxyquinolin-8-amine
CID 86241505

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol?
The IUPAC name of 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol (CID 171859985) is 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol.
What is the SMILES notation for 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol?
The canonical SMILES for 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol is COc1ccc(N)c(C(O)C(O)CBr)n1.
What is the InChIKey of 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol?
The InChIKey is GFZICHFSZKRKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-15-7-3-2-5(11)8(12-7)9(14)6(13)4-10/h2-3,6,9,13-14H,4,11H2,1H3.
What are the key properties of 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol?
1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol has a molecular weight of 277.12 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol is sourced from PubChem (CID 171859985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).