2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde

C11H16BrNO4 — CID 174749631

IUPAC2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde
SMILESCC(N)(CO)CO.O=Cc1cc(Br)ccc1O
InChIInChI=1S/C7H5BrO2.C4H11NO2/c8-6-1-2-7(10)5(3-6)4-9;1-4(5,2-6)3-7/h1-4,10H;6-7H,2-3,5H2,1H3
InChIKeyZFCCSOSWLAETOV-UHFFFAOYSA-N
MW306.16 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde

2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde (PubChem CID 174749631) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde
PubChem CID174749631
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde
SMILESCC(N)(CO)CO.O=Cc1cc(Br)ccc1O
InChIInChI=1S/C7H5BrO2.C4H11NO2/c8-6-1-2-7(10)5(3-6)4-9;1-4(5,2-6)3-7/h1-4,10H;6-7H,2-3,5H2,1H3
InChIKeyZFCCSOSWLAETOV-UHFFFAOYSA-N
XLogP0.66
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanesulfonic acid;5-bromo-2-hydroxybenzaldehyde
CID 174561348
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
3-(5-bromo-2-hydroxyphenyl)prop-2-enal
CID 73179999
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
[3-acetyloxy-2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl] acetate;2-amino-2-methylpropane-1,3-diol;2-hydroxybenzaldehyde;2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diol
CID 162022871
(4-bromo-2-formylphenyl) 2,2-dimethylpropanoate
CID 134095044
2-(3-formyl-4-hydroxyphenyl)-2-methylpropanoic acid
CID 87741445
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine
CID 175172656
2-(5-bromo-2-hydroxyphenyl)ethenone
CID 176516988
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde (CID 174749631) is 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde is CC(N)(CO)CO.O=Cc1cc(Br)ccc1O.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde?
The InChIKey is ZFCCSOSWLAETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.C4H11NO2/c8-6-1-2-7(10)5(3-6)4-9;1-4(5,2-6)3-7/h1-4,10H;6-7H,2-3,5H2,1H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde?
2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde has a molecular weight of 306.16 g/mol, XLogP of 0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;5-bromo-2-hydroxybenzaldehyde is sourced from PubChem (CID 174749631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).