[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol

C12H17NO2 — CID 79156315

IUPAC[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCCC2CC2)c(CO)n1
InChIInChI=1S/C12H17NO2/c1-9-2-5-12(11(8-14)13-9)15-7-6-10-3-4-10/h2,5,10,14H,3-4,6-8H2,1H3
InChIKeyKJAHILPTOILAPB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.06
Rot. Bonds5

About [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol

[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol (PubChem CID 79156315) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
PubChem CID79156315
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCCC2CC2)c(CO)n1
InChIInChI=1S/C12H17NO2/c1-9-2-5-12(11(8-14)13-9)15-7-6-10-3-4-10/h2,5,10,14H,3-4,6-8H2,1H3
InChIKeyKJAHILPTOILAPB-UHFFFAOYSA-N
XLogP2.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol (CID 79156315) is [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCCC2CC2)c(CO)n1.
What is the InChIKey of [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol?
The InChIKey is KJAHILPTOILAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-5-12(11(8-14)13-9)15-7-6-10-3-4-10/h2,5,10,14H,3-4,6-8H2,1H3.
What are the key properties of [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol?
[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol has a molecular weight of 207.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79156315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).