1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol

C14H13Br2NO — CID 104800043

IUPAC1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
SMILESOC(Cc1cncc(Br)c1)Cc1ccccc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-5-10(8-17-9-12)6-13(18)7-11-3-1-2-4-14(11)16/h1-5,8-9,13,18H,6-7H2
InChIKeyRUTGKYHHXYGEDB-UHFFFAOYSA-N
MW371.07 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol

1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol (PubChem CID 104800043) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
PubChem CID104800043
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
SMILESOC(Cc1cncc(Br)c1)Cc1ccccc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-5-10(8-17-9-12)6-13(18)7-11-3-1-2-4-14(11)16/h1-5,8-9,13,18H,6-7H2
InChIKeyRUTGKYHHXYGEDB-UHFFFAOYSA-N
XLogP3.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62553405
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
3-bromo-5-[2-(bromomethyl)-3-(2-methylphenyl)propyl]pyridine
CID 113456098
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol (CID 104800043) is 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol is OC(Cc1cncc(Br)c1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol?
The InChIKey is RUTGKYHHXYGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-12-5-10(8-17-9-12)6-13(18)7-11-3-1-2-4-14(11)16/h1-5,8-9,13,18H,6-7H2.
What are the key properties of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol?
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol has a molecular weight of 371.07 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 104800043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).