1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

C10H13Br2NO3 — CID 171859166

IUPAC1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H13Br2NO3/c1-13-4-8(14)10(16)6-2-5(11)3-7(12)9(6)15/h2-3,8,10,13-16H,4H2,1H3
InChIKeyDQXJHCNMBRDWMG-UHFFFAOYSA-N
MW355.03 g/mol
LogP1.53
Rot. Bonds4

About 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859166) has the molecular formula C10H13Br2NO3 and a molecular weight of 355.03 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859166
Molecular FormulaC10H13Br2NO3
Molecular Weight355.03 g/mol
Exact Mass352.93
IUPAC Name1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H13Br2NO3/c1-13-4-8(14)10(16)6-2-5(11)3-7(12)9(6)15/h2-3,8,10,13-16H,4H2,1H3
InChIKeyDQXJHCNMBRDWMG-UHFFFAOYSA-N
XLogP1.53
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859243
1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859236
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859246
1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
(1S,2S)-1-(3,5-dibromo-2-hydroxyphenyl)-2-methoxybutane-1,4-diol
CID 23892316
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835406
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859115
1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171857750
2,4-dibromo-6-[1-(prop-2-ynylamino)ethyl]phenol
CID 104581528
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171859166) is 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is DQXJHCNMBRDWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3/c1-13-4-8(14)10(16)6-2-5(11)3-7(12)9(6)15/h2-3,8,10,13-16H,4H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 355.03 g/mol, XLogP of 1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).