[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

C12H12N2O2 — CID 11160239

IUPAC[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2
InChIKeyRRXGRDMHWYLJSY-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds3

About [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (PubChem CID 11160239) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
PubChem CID11160239
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2
InChIKeyRRXGRDMHWYLJSY-UHFFFAOYSA-N
XLogP1.13
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (CID 11160239) is [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is OCc1ccnc(-c2cc(CO)ccn2)c1.
What is the InChIKey of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The InChIKey is RRXGRDMHWYLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2.
What are the key properties of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol has a molecular weight of 216.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is sourced from PubChem (CID 11160239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).