1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol

C10H12BrNO — CID 79332912

IUPAC1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1cncc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-2-7-4-10(7,13)8-3-9(11)6-12-5-8/h3,5-7,13H,2,4H2,1H3
InChIKeyMPDIEQSSRMHIAQ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.46
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol

1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol (PubChem CID 79332912) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol
PubChem CID79332912
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1cncc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-2-7-4-10(7,13)8-3-9(11)6-12-5-8/h3,5-7,13H,2,4H2,1H3
InChIKeyMPDIEQSSRMHIAQ-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol (CID 79332912) is 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol is CCC1CC1(O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol?
The InChIKey is MPDIEQSSRMHIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-7-4-10(7,13)8-3-9(11)6-12-5-8/h3,5-7,13H,2,4H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol?
1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol has a molecular weight of 242.12 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 79332912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).