3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol

C9H11BrClNO2 — CID 170829088

IUPAC3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO2/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,13-14H,4,12H2
InChIKeyBNQSHEYSVKSNOK-UHFFFAOYSA-N
MW280.55 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol

3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol (PubChem CID 170829088) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
PubChem CID170829088
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO2/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,13-14H,4,12H2
InChIKeyBNQSHEYSVKSNOK-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170820951
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
CID 175839042
3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828895
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol (CID 170829088) is 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol is NCC(O)C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol?
The InChIKey is BNQSHEYSVKSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,13-14H,4,12H2.
What are the key properties of 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol?
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol has a molecular weight of 280.55 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol is sourced from PubChem (CID 170829088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).