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

C14H13Br2NO — CID 104813203

IUPAC2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
SMILESOCC(Cc1cncc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO/c15-13-3-1-2-11(6-13)12(9-18)4-10-5-14(16)8-17-7-10/h1-3,5-8,12,18H,4,9H2
InChIKeyMQFJQVRBNOHBSC-UHFFFAOYSA-N
MW371.07 g/mol
LogP3.93
Rot. Bonds4

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

2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol (PubChem CID 104813203) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
PubChem CID104813203
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
SMILESOCC(Cc1cncc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO/c15-13-3-1-2-11(6-13)12(9-18)4-10-5-14(16)8-17-7-10/h1-3,5-8,12,18H,4,9H2
InChIKeyMQFJQVRBNOHBSC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
4-amino-2-(3-bromophenyl)butan-1-ol
CID 115045172
3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
CID 153089826
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol (CID 104813203) is 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol is OCC(Cc1cncc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol?
The InChIKey is MQFJQVRBNOHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-13-3-1-2-11(6-13)12(9-18)4-10-5-14(16)8-17-7-10/h1-3,5-8,12,18H,4,9H2.
What are the key properties of 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol?
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol has a molecular weight of 371.07 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 104813203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).