4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde

C13H7ClF4N2O — CID 107290408

IUPAC4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H7ClF4N2O/c1-6-19-11(8(5-21)12(14)20-6)7-2-3-10(15)9(4-7)13(16,17)18/h2-5H,1H3
InChIKeyFLZUQWKTERTOEB-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.08
Rot. Bonds2

About 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 107290408) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde
PubChem CID107290408
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H7ClF4N2O/c1-6-19-11(8(5-21)12(14)20-6)7-2-3-10(15)9(4-7)13(16,17)18/h2-5H,1H3
InChIKeyFLZUQWKTERTOEB-UHFFFAOYSA-N
XLogP4.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 115504473
4-chloro-2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 80727014
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde
CID 80726421
4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 113324917
4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
CID 80725406
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine
CID 107290412
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-methylpyrimidine-5-carbaldehyde
CID 80726765
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
4-chloro-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbaldehyde
CID 80725954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde (CID 107290408) is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is FLZUQWKTERTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c1-6-19-11(8(5-21)12(14)20-6)7-2-3-10(15)9(4-7)13(16,17)18/h2-5H,1H3.
What are the key properties of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 318.66 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 107290408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).