(6-cycloheptyloxy-2-pyridinyl)methanol

C13H19NO2 — CID 62239714

IUPAC(6-cycloheptyloxy-2-pyridinyl)methanol
SMILESOCc1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C13H19NO2/c15-10-11-6-5-9-13(14-11)16-12-7-3-1-2-4-8-12/h5-6,9,12,15H,1-4,7-8,10H2
InChIKeyIVAGNBROURGVSW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.68
Rot. Bonds3

About (6-cycloheptyloxy-2-pyridinyl)methanol

(6-cycloheptyloxy-2-pyridinyl)methanol (PubChem CID 62239714) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (6-cycloheptyloxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-cycloheptyloxy-2-pyridinyl)methanol
PubChem CID62239714
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(6-cycloheptyloxy-2-pyridinyl)methanol
SMILESOCc1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C13H19NO2/c15-10-11-6-5-9-13(14-11)16-12-7-3-1-2-4-8-12/h5-6,9,12,15H,1-4,7-8,10H2
InChIKeyIVAGNBROURGVSW-UHFFFAOYSA-N
XLogP2.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-cycloheptyloxy-2-pyridinyl)methanol?
The IUPAC name of (6-cycloheptyloxy-2-pyridinyl)methanol (CID 62239714) is (6-cycloheptyloxy-2-pyridinyl)methanol.
What is the SMILES notation for (6-cycloheptyloxy-2-pyridinyl)methanol?
The canonical SMILES for (6-cycloheptyloxy-2-pyridinyl)methanol is OCc1cccc(OC2CCCCCC2)n1.
What is the InChIKey of (6-cycloheptyloxy-2-pyridinyl)methanol?
The InChIKey is IVAGNBROURGVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-11-6-5-9-13(14-11)16-12-7-3-1-2-4-8-12/h5-6,9,12,15H,1-4,7-8,10H2.
What are the key properties of (6-cycloheptyloxy-2-pyridinyl)methanol?
(6-cycloheptyloxy-2-pyridinyl)methanol has a molecular weight of 221.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cycloheptyloxy-2-pyridinyl)methanol is sourced from PubChem (CID 62239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).