[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde

C24H22N4O2 — CID 142403355

IUPAC[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde
SMILESCc1ccnc(-c2cc(C)cc(CO)n2)c1.O=Cc1cccc(-c2ccccn2)n1
InChIInChI=1S/C13H14N2O.C11H8N2O/c1-9-3-4-14-12(6-9)13-7-10(2)5-11(8-16)15-13;14-8-9-4-3-6-11(13-9)10-5-1-2-7-12-10/h3-7,16H,8H2,1-2H3;1-8H
InChIKeyKOFGSYSRPPRPFE-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.21
Rot. Bonds4

About [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde

[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde (PubChem CID 142403355) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde
PubChem CID142403355
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde
SMILESCc1ccnc(-c2cc(C)cc(CO)n2)c1.O=Cc1cccc(-c2ccccn2)n1
InChIInChI=1S/C13H14N2O.C11H8N2O/c1-9-3-4-14-12(6-9)13-7-10(2)5-11(8-16)15-13;14-8-9-4-3-6-11(13-9)10-5-1-2-7-12-10/h3-7,16H,8H2,1-2H3;1-8H
InChIKeyKOFGSYSRPPRPFE-UHFFFAOYSA-N
XLogP4.21
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde?
The IUPAC name of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde (CID 142403355) is [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde.
What is the SMILES notation for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde?
The canonical SMILES for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde is Cc1ccnc(-c2cc(C)cc(CO)n2)c1.O=Cc1cccc(-c2ccccn2)n1.
What is the InChIKey of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde?
The InChIKey is KOFGSYSRPPRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C11H8N2O/c1-9-3-4-14-12(6-9)13-7-10(2)5-11(8-16)15-13;14-8-9-4-3-6-11(13-9)10-5-1-2-7-12-10/h3-7,16H,8H2,1-2H3;1-8H.
What are the key properties of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde?
[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde has a molecular weight of 398.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]methanol;6-pyridin-2-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 142403355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).