1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol

C12H10Br2N2O2 — CID 174690755

IUPAC1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol
SMILESCC(O)(Oc1ncc(Br)cn1)c1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O2/c1-12(17,8-3-2-4-9(13)5-8)18-11-15-6-10(14)7-16-11/h2-7,17H,1H3
InChIKeyNASHIIISNAQXCV-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.25
Rot. Bonds3

About 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol

1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol (PubChem CID 174690755) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol
PubChem CID174690755
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol
SMILESCC(O)(Oc1ncc(Br)cn1)c1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O2/c1-12(17,8-3-2-4-9(13)5-8)18-11-15-6-10(14)7-16-11/h2-7,17H,1H3
InChIKeyNASHIIISNAQXCV-UHFFFAOYSA-N
XLogP3.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-bromophenyl)-1-pyridin-2-ylethanol
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O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol (CID 174690755) is 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol is CC(O)(Oc1ncc(Br)cn1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol?
The InChIKey is NASHIIISNAQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-12(17,8-3-2-4-9(13)5-8)18-11-15-6-10(14)7-16-11/h2-7,17H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol?
1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol has a molecular weight of 374.03 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(5-bromopyrimidin-2-yl)oxyethanol is sourced from PubChem (CID 174690755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).