[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol

C27H21N5O2 — CID 90820104

IUPAC[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol
SMILESOC(c1ccccn1)(c1ccccn1)c1cccc(C(O)(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C27H21N5O2/c33-26(20-10-1-5-16-28-20,21-11-2-6-17-29-21)24-14-9-15-25(32-24)27(34,22-12-3-7-18-30-22)23-13-4-8-19-31-23/h1-19,33-34H
InChIKeyHVLSONHYRCKMDG-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.23
Rot. Bonds6

About [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol

[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol (PubChem CID 90820104) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol.

Molecular Properties

Compound Name[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol
PubChem CID90820104
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol
SMILESOC(c1ccccn1)(c1ccccn1)c1cccc(C(O)(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C27H21N5O2/c33-26(20-10-1-5-16-28-20,21-11-2-6-17-29-21)24-14-9-15-25(32-24)27(34,22-12-3-7-18-30-22)23-13-4-8-19-31-23/h1-19,33-34H
InChIKeyHVLSONHYRCKMDG-UHFFFAOYSA-N
XLogP3.23
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol?
The IUPAC name of [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol (CID 90820104) is [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol.
What is the SMILES notation for [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol?
The canonical SMILES for [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol is OC(c1ccccn1)(c1ccccn1)c1cccc(C(O)(c2ccccn2)c2ccccn2)n1.
What is the InChIKey of [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol?
The InChIKey is HVLSONHYRCKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c33-26(20-10-1-5-16-28-20,21-11-2-6-17-29-21)24-14-9-15-25(32-24)27(34,22-12-3-7-18-30-22)23-13-4-8-19-31-23/h1-19,33-34H.
What are the key properties of [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol?
[6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol has a molecular weight of 447.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol is sourced from PubChem (CID 90820104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).