2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol

C9H13NO2 — CID 58538697

IUPAC2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(CO)ccn1
InChIInChI=1S/C9H13NO2/c1-9(2,12)8-5-7(6-11)3-4-10-8/h3-5,11-12H,6H2,1-2H3
InChIKeyFUPSNHNTDPBNDF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds2

About 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol

2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol (PubChem CID 58538697) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol
PubChem CID58538697
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(CO)ccn1
InChIInChI=1S/C9H13NO2/c1-9(2,12)8-5-7(6-11)3-4-10-8/h3-5,11-12H,6H2,1-2H3
InChIKeyFUPSNHNTDPBNDF-UHFFFAOYSA-N
XLogP0.80
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol (CID 58538697) is 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(CO)ccn1.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is FUPSNHNTDPBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,12)8-5-7(6-11)3-4-10-8/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol?
2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58538697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).