4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde

C12H7Cl2FN2O — CID 113324917

IUPAC4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H7Cl2FN2O/c1-6-16-11(9(5-18)12(14)17-6)8-3-2-7(15)4-10(8)13/h2-5H,1H3
InChIKeyRDLJLXGROLTBMP-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.71
Rot. Bonds2

About 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde (PubChem CID 113324917) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
PubChem CID113324917
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H7Cl2FN2O/c1-6-16-11(9(5-18)12(14)17-6)8-3-2-7(15)4-10(8)13/h2-5H,1H3
InChIKeyRDLJLXGROLTBMP-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.71
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-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde (CID 113324917) is 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is RDLJLXGROLTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c1-6-16-11(9(5-18)12(14)17-6)8-3-2-7(15)4-10(8)13/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 285.11 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 113324917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).