2-(2-methoxypyrimidin-5-yl)benzaldehyde

C12H10N2O2 — CID 105467486

IUPAC2-(2-methoxypyrimidin-5-yl)benzaldehyde
SMILESCOc1ncc(-c2ccccc2C=O)cn1
InChIInChI=1S/C12H10N2O2/c1-16-12-13-6-10(7-14-12)11-5-3-2-4-9(11)8-15/h2-8H,1H3
InChIKeyQHVNXUQFGDLLNH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.96
Rot. Bonds3

About 2-(2-methoxypyrimidin-5-yl)benzaldehyde

2-(2-methoxypyrimidin-5-yl)benzaldehyde (PubChem CID 105467486) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-methoxypyrimidin-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methoxypyrimidin-5-yl)benzaldehyde
PubChem CID105467486
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(2-methoxypyrimidin-5-yl)benzaldehyde
SMILESCOc1ncc(-c2ccccc2C=O)cn1
InChIInChI=1S/C12H10N2O2/c1-16-12-13-6-10(7-14-12)11-5-3-2-4-9(11)8-15/h2-8H,1H3
InChIKeyQHVNXUQFGDLLNH-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyrimidin-5-yl)benzaldehyde?
The IUPAC name of 2-(2-methoxypyrimidin-5-yl)benzaldehyde (CID 105467486) is 2-(2-methoxypyrimidin-5-yl)benzaldehyde.
What is the SMILES notation for 2-(2-methoxypyrimidin-5-yl)benzaldehyde?
The canonical SMILES for 2-(2-methoxypyrimidin-5-yl)benzaldehyde is COc1ncc(-c2ccccc2C=O)cn1.
What is the InChIKey of 2-(2-methoxypyrimidin-5-yl)benzaldehyde?
The InChIKey is QHVNXUQFGDLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12-13-6-10(7-14-12)11-5-3-2-4-9(11)8-15/h2-8H,1H3.
What are the key properties of 2-(2-methoxypyrimidin-5-yl)benzaldehyde?
2-(2-methoxypyrimidin-5-yl)benzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyrimidin-5-yl)benzaldehyde is sourced from PubChem (CID 105467486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).