(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol

C13H11BrClNO — CID 2862032

IUPAC(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol
SMILESNc1ccc(Br)cc1C(O)c1ccccc1Cl
InChIInChI=1S/C13H11BrClNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,17H,16H2
InChIKeyZUXDXWPXEXSRSL-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.77
Rot. Bonds2

About (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol

(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol (PubChem CID 2862032) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol
PubChem CID2862032
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol
SMILESNc1ccc(Br)cc1C(O)c1ccccc1Cl
InChIInChI=1S/C13H11BrClNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,17H,16H2
InChIKeyZUXDXWPXEXSRSL-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol?
The IUPAC name of (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol (CID 2862032) is (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol?
The canonical SMILES for (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol is Nc1ccc(Br)cc1C(O)c1ccccc1Cl.
What is the InChIKey of (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol?
The InChIKey is ZUXDXWPXEXSRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,17H,16H2.
What are the key properties of (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol?
(2-amino-5-bromophenyl)-(2-chlorophenyl)methanol has a molecular weight of 312.59 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2-chlorophenyl)methanol is sourced from PubChem (CID 2862032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).