(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol

C14H13Br2NO2 — CID 103939260

IUPAC(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C14H13Br2NO2/c1-2-13(18)12-5-4-10(8-17-12)19-14-6-3-9(15)7-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1
InChIKeyYVWKHBACYAYMGR-ZDUSSCGKSA-N
MW387.07 g/mol
LogP4.84
Rot. Bonds4

About (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol

(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 103939260) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
PubChem CID103939260
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C14H13Br2NO2/c1-2-13(18)12-5-4-10(8-17-12)19-14-6-3-9(15)7-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1
InChIKeyYVWKHBACYAYMGR-ZDUSSCGKSA-N
XLogP4.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
CID 103939168
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536
(1S)-1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 103939118

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol (CID 103939260) is (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Oc2ccc(Br)cc2Br)cn1.
What is the InChIKey of (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is YVWKHBACYAYMGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-2-13(18)12-5-4-10(8-17-12)19-14-6-3-9(15)7-11(14)16/h3-8,13,18H,2H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 387.07 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).