amino-(3-bromo-4-chlorophenyl)methanol

C7H7BrClNO — CID 141216325

IUPACamino-(3-bromo-4-chlorophenyl)methanol
SMILESNC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,11H,10H2
InChIKeyVKSQNQHEMAKUOH-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.05
Rot. Bonds1

About amino-(3-bromo-4-chlorophenyl)methanol

amino-(3-bromo-4-chlorophenyl)methanol (PubChem CID 141216325) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is amino-(3-bromo-4-chlorophenyl)methanol.

Molecular Properties

Compound Nameamino-(3-bromo-4-chlorophenyl)methanol
PubChem CID141216325
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Nameamino-(3-bromo-4-chlorophenyl)methanol
SMILESNC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,11H,10H2
InChIKeyVKSQNQHEMAKUOH-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267803
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
CID 83230882
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(1S)-1-(3-bromo-4-chlorophenyl)prop-2-yn-1-ol
CID 130563381
(1R,2S)-1-amino-1-(3-bromo-4-chlorophenyl)-5-methylhexan-2-ol
CID 171262140
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
CID 83230219
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344
3-bromo-1-(3-bromo-4-chlorophenyl)propane-1,2-diol
CID 171861069
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480

Frequently Asked Questions

What is the IUPAC name of amino-(3-bromo-4-chlorophenyl)methanol?
The IUPAC name of amino-(3-bromo-4-chlorophenyl)methanol (CID 141216325) is amino-(3-bromo-4-chlorophenyl)methanol.
What is the SMILES notation for amino-(3-bromo-4-chlorophenyl)methanol?
The canonical SMILES for amino-(3-bromo-4-chlorophenyl)methanol is NC(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of amino-(3-bromo-4-chlorophenyl)methanol?
The InChIKey is VKSQNQHEMAKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,11H,10H2.
What are the key properties of amino-(3-bromo-4-chlorophenyl)methanol?
amino-(3-bromo-4-chlorophenyl)methanol has a molecular weight of 236.50 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-bromo-4-chlorophenyl)methanol is sourced from PubChem (CID 141216325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).