(S)-(4-methylphenyl)-pyridin-2-ylmethanol

C13H13NO — CID 122207963

IUPAC(S)-(4-methylphenyl)-pyridin-2-ylmethanol
SMILESCc1ccc([C@H](O)c2ccccn2)cc1
InChIInChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3/t13-/m0/s1
InChIKeyCYZSQCGJSQBXJY-ZDUSSCGKSA-N
MW199.25 g/mol
LogP2.47
Rot. Bonds2

About (S)-(4-methylphenyl)-pyridin-2-ylmethanol

(S)-(4-methylphenyl)-pyridin-2-ylmethanol (PubChem CID 122207963) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-pyridin-2-ylmethanol
PubChem CID122207963
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(S)-(4-methylphenyl)-pyridin-2-ylmethanol
SMILESCc1ccc([C@H](O)c2ccccn2)cc1
InChIInChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3/t13-/m0/s1
InChIKeyCYZSQCGJSQBXJY-ZDUSSCGKSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-pyridin-2-ylmethanol?
The IUPAC name of (S)-(4-methylphenyl)-pyridin-2-ylmethanol (CID 122207963) is (S)-(4-methylphenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-(4-methylphenyl)-pyridin-2-ylmethanol?
The canonical SMILES for (S)-(4-methylphenyl)-pyridin-2-ylmethanol is Cc1ccc([C@H](O)c2ccccn2)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-pyridin-2-ylmethanol?
The InChIKey is CYZSQCGJSQBXJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3/t13-/m0/s1.
What are the key properties of (S)-(4-methylphenyl)-pyridin-2-ylmethanol?
(S)-(4-methylphenyl)-pyridin-2-ylmethanol has a molecular weight of 199.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 122207963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).