[(2S)-1-methyl-2H-pyridin-2-yl]methanol

C7H11NO — CID 70070172

IUPAC[(2S)-1-methyl-2H-pyridin-2-yl]methanol
SMILESCN1C=CC=C[C@H]1CO
InChIInChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2-5,7,9H,6H2,1H3/t7-/m0/s1
InChIKeyVSNRAJKDTSGBGW-ZETCQYMHSA-N
MW125.17 g/mol
LogP0.36
Rot. Bonds1

About [(2S)-1-methyl-2H-pyridin-2-yl]methanol

[(2S)-1-methyl-2H-pyridin-2-yl]methanol (PubChem CID 70070172) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is [(2S)-1-methyl-2H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methyl-2H-pyridin-2-yl]methanol
PubChem CID70070172
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name[(2S)-1-methyl-2H-pyridin-2-yl]methanol
SMILESCN1C=CC=C[C@H]1CO
InChIInChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2-5,7,9H,6H2,1H3/t7-/m0/s1
InChIKeyVSNRAJKDTSGBGW-ZETCQYMHSA-N
XLogP0.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methyl-2H-pyridin-2-yl]methanol?
The IUPAC name of [(2S)-1-methyl-2H-pyridin-2-yl]methanol (CID 70070172) is [(2S)-1-methyl-2H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-methyl-2H-pyridin-2-yl]methanol?
The canonical SMILES for [(2S)-1-methyl-2H-pyridin-2-yl]methanol is CN1C=CC=C[C@H]1CO.
What is the InChIKey of [(2S)-1-methyl-2H-pyridin-2-yl]methanol?
The InChIKey is VSNRAJKDTSGBGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2-5,7,9H,6H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-1-methyl-2H-pyridin-2-yl]methanol?
[(2S)-1-methyl-2H-pyridin-2-yl]methanol has a molecular weight of 125.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methyl-2H-pyridin-2-yl]methanol is sourced from PubChem (CID 70070172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).