2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde

C19H16N2O2 — CID 102347712

IUPAC2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCc1ccc(-c2ccc(COc3ccccc3C=O)cn2)nc1
InChIInChI=1S/C19H16N2O2/c1-14-6-8-17(20-10-14)18-9-7-15(11-21-18)13-23-19-5-3-2-4-16(19)12-22/h2-12H,13H2,1H3
InChIKeyXTVRJRAXYOOERH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.84
Rot. Bonds5

About 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde

2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 102347712) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID102347712
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCc1ccc(-c2ccc(COc3ccccc3C=O)cn2)nc1
InChIInChI=1S/C19H16N2O2/c1-14-6-8-17(20-10-14)18-9-7-15(11-21-18)13-23-19-5-3-2-4-16(19)12-22/h2-12H,13H2,1H3
InChIKeyXTVRJRAXYOOERH-UHFFFAOYSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-(5-methyl-2-pyridinyl)-5-[[4-[1,2,2-tris[4-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]phenyl]ethenyl]phenoxy]methyl]pyridine
CID 177490313

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde (CID 102347712) is 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde is Cc1ccc(-c2ccc(COc3ccccc3C=O)cn2)nc1.
What is the InChIKey of 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is XTVRJRAXYOOERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-6-8-17(20-10-14)18-9-7-15(11-21-18)13-23-19-5-3-2-4-16(19)12-22/h2-12H,13H2,1H3.
What are the key properties of 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde?
2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 304.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 102347712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).