(2,6-dimethyl-4-pyridinyl)methanediol

C8H11NO2 — CID 146515076

IUPAC(2,6-dimethyl-4-pyridinyl)methanediol
SMILESCc1cc(C(O)O)cc(C)n1
InChIInChI=1S/C8H11NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,8,10-11H,1-2H3
InChIKeyOVNIOCZSBOKSHY-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.68
Rot. Bonds1

About (2,6-dimethyl-4-pyridinyl)methanediol

(2,6-dimethyl-4-pyridinyl)methanediol (PubChem CID 146515076) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)methanediol.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)methanediol
PubChem CID146515076
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2,6-dimethyl-4-pyridinyl)methanediol
SMILESCc1cc(C(O)O)cc(C)n1
InChIInChI=1S/C8H11NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,8,10-11H,1-2H3
InChIKeyOVNIOCZSBOKSHY-UHFFFAOYSA-N
XLogP0.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)methanediol?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)methanediol (CID 146515076) is (2,6-dimethyl-4-pyridinyl)methanediol.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)methanediol?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)methanediol is Cc1cc(C(O)O)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)methanediol?
The InChIKey is OVNIOCZSBOKSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,8,10-11H,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)methanediol?
(2,6-dimethyl-4-pyridinyl)methanediol has a molecular weight of 153.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)methanediol is sourced from PubChem (CID 146515076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).