ethane;pyridin-2-ylmethanol

C8H13NO — CID 91461493

IUPACethane;pyridin-2-ylmethanol
SMILESCC.OCc1ccccn1
InChIInChI=1S/C6H7NO.C2H6/c8-5-6-3-1-2-4-7-6;1-2/h1-4,8H,5H2;1-2H3
InChIKeyUOFVXYHQBGQJPM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds1

About ethane;pyridin-2-ylmethanol

ethane;pyridin-2-ylmethanol (PubChem CID 91461493) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;pyridin-2-ylmethanol.

Molecular Properties

Compound Nameethane;pyridin-2-ylmethanol
PubChem CID91461493
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethane;pyridin-2-ylmethanol
SMILESCC.OCc1ccccn1
InChIInChI=1S/C6H7NO.C2H6/c8-5-6-3-1-2-4-7-6;1-2/h1-4,8H,5H2;1-2H3
InChIKeyUOFVXYHQBGQJPM-UHFFFAOYSA-N
XLogP1.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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butanoic acid;pyridin-2-ylmethanol
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ethane;2-ethylpyridine
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ethane;2-ethylpyridine;methane
CID 142439308
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
ethane;2-ethylpyridine;propan-2-one
CID 91062133
2-(fluoromethyl)pyridine;hydroiodide
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2-ethylpyridine;sulfane
CID 67363352

Frequently Asked Questions

What is the IUPAC name of ethane;pyridin-2-ylmethanol?
The IUPAC name of ethane;pyridin-2-ylmethanol (CID 91461493) is ethane;pyridin-2-ylmethanol.
What is the SMILES notation for ethane;pyridin-2-ylmethanol?
The canonical SMILES for ethane;pyridin-2-ylmethanol is CC.OCc1ccccn1.
What is the InChIKey of ethane;pyridin-2-ylmethanol?
The InChIKey is UOFVXYHQBGQJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6/c8-5-6-3-1-2-4-7-6;1-2/h1-4,8H,5H2;1-2H3.
What are the key properties of ethane;pyridin-2-ylmethanol?
ethane;pyridin-2-ylmethanol has a molecular weight of 139.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridin-2-ylmethanol is sourced from PubChem (CID 91461493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).