4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde

C11H6ClFN2O — CID 79072758

IUPAC4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1cccc(F)c1
InChIInChI=1S/C11H6ClFN2O/c12-11-9(5-16)10(14-6-15-11)7-2-1-3-8(13)4-7/h1-6H
InChIKeyDHZFLLWHQBEGDE-UHFFFAOYSA-N
MW236.63 g/mol
LogP2.75
Rot. Bonds2

About 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde

4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde (PubChem CID 79072758) has the molecular formula C11H6ClFN2O and a molecular weight of 236.63 g/mol. Its IUPAC name is 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
PubChem CID79072758
Molecular FormulaC11H6ClFN2O
Molecular Weight236.63 g/mol
Exact Mass236.02
IUPAC Name4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1cccc(F)c1
InChIInChI=1S/C11H6ClFN2O/c12-11-9(5-16)10(14-6-15-11)7-2-1-3-8(13)4-7/h1-6H
InChIKeyDHZFLLWHQBEGDE-UHFFFAOYSA-N
XLogP2.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde (CID 79072758) is 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1-c1cccc(F)c1.
What is the InChIKey of 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde?
The InChIKey is DHZFLLWHQBEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O/c12-11-9(5-16)10(14-6-15-11)7-2-1-3-8(13)4-7/h1-6H.
What are the key properties of 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde has a molecular weight of 236.63 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 79072758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).