2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde

C13H11ClN2O4 — CID 15612007

IUPAC2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2cccc(Cl)c2C=O)n1
InChIInChI=1S/C13H11ClN2O4/c1-18-11-6-12(19-2)16-13(15-11)20-10-5-3-4-9(14)8(10)7-17/h3-7H,1-2H3
InChIKeyJLBVXVNAGBQKAC-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde

2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde (PubChem CID 15612007) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
PubChem CID15612007
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2cccc(Cl)c2C=O)n1
InChIInChI=1S/C13H11ClN2O4/c1-18-11-6-12(19-2)16-13(15-11)20-10-5-3-4-9(14)8(10)7-17/h3-7H,1-2H3
InChIKeyJLBVXVNAGBQKAC-UHFFFAOYSA-N
XLogP2.75
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.75
H-Bond Donors ≤ 50
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 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The IUPAC name of 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde (CID 15612007) is 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde.
What is the SMILES notation for 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The canonical SMILES for 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde is COc1cc(OC)nc(Oc2cccc(Cl)c2C=O)n1.
What is the InChIKey of 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
The InChIKey is JLBVXVNAGBQKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-18-11-6-12(19-2)16-13(15-11)20-10-5-3-4-9(14)8(10)7-17/h3-7H,1-2H3.
What are the key properties of 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde?
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde has a molecular weight of 294.69 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde is sourced from PubChem (CID 15612007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).