2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol

C16H18BrNO — CID 79740509

IUPAC2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(C)(O)c2ccccc2Br)nc1
InChIInChI=1S/C16H18BrNO/c1-3-12-8-9-13(18-11-12)10-16(2,19)14-6-4-5-7-15(14)17/h4-9,11,19H,3,10H2,1-2H3
InChIKeyMNNSMCCPQZTHFY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol

2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol (PubChem CID 79740509) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
PubChem CID79740509
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(C)(O)c2ccccc2Br)nc1
InChIInChI=1S/C16H18BrNO/c1-3-12-8-9-13(18-11-12)10-16(2,19)14-6-4-5-7-15(14)17/h4-9,11,19H,3,10H2,1-2H3
InChIKeyMNNSMCCPQZTHFY-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol (CID 79740509) is 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol is CCc1ccc(CC(C)(O)c2ccccc2Br)nc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol?
The InChIKey is MNNSMCCPQZTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-12-8-9-13(18-11-12)10-16(2,19)14-6-4-5-7-15(14)17/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol?
2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol has a molecular weight of 320.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 79740509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).