tripyridin-4-ylmethanol

C16H13N3O — CID 15861888

IUPACtripyridin-4-ylmethanol
SMILESOC(c1ccncc1)(c1ccncc1)c1ccncc1
InChIInChI=1S/C16H13N3O/c20-16(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12,20H
InChIKeyLGHLTRASRAEIPD-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.16
Rot. Bonds3

About tripyridin-4-ylmethanol

tripyridin-4-ylmethanol (PubChem CID 15861888) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is tripyridin-4-ylmethanol.

Molecular Properties

Compound Nametripyridin-4-ylmethanol
PubChem CID15861888
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Nametripyridin-4-ylmethanol
SMILESOC(c1ccncc1)(c1ccncc1)c1ccncc1
InChIInChI=1S/C16H13N3O/c20-16(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12,20H
InChIKeyLGHLTRASRAEIPD-UHFFFAOYSA-N
XLogP2.16
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tripyridin-4-ylmethanol?
The IUPAC name of tripyridin-4-ylmethanol (CID 15861888) is tripyridin-4-ylmethanol.
What is the SMILES notation for tripyridin-4-ylmethanol?
The canonical SMILES for tripyridin-4-ylmethanol is OC(c1ccncc1)(c1ccncc1)c1ccncc1.
What is the InChIKey of tripyridin-4-ylmethanol?
The InChIKey is LGHLTRASRAEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12,20H.
What are the key properties of tripyridin-4-ylmethanol?
tripyridin-4-ylmethanol has a molecular weight of 263.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tripyridin-4-ylmethanol is sourced from PubChem (CID 15861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).