[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol

C22H17N3O — CID 71437815

IUPAC[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
SMILESOCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H17N3O/c26-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-23-19)25-22(14-18)20-6-2-4-12-24-20/h1-14,26H,15H2
InChIKeyAHJRDAJMQPRPKC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.36
Rot. Bonds4

About [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol

[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol (PubChem CID 71437815) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
PubChem CID71437815
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
SMILESOCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H17N3O/c26-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-23-19)25-22(14-18)20-6-2-4-12-24-20/h1-14,26H,15H2
InChIKeyAHJRDAJMQPRPKC-UHFFFAOYSA-N
XLogP4.36
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol?
The IUPAC name of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol (CID 71437815) is [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol.
What is the SMILES notation for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol?
The canonical SMILES for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol is OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol?
The InChIKey is AHJRDAJMQPRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-23-19)25-22(14-18)20-6-2-4-12-24-20/h1-14,26H,15H2.
What are the key properties of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol?
[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol has a molecular weight of 339.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol is sourced from PubChem (CID 71437815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).