6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde

C18H16F3NO — CID 137401776

IUPAC6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ccc(F)c(-c2c(F)cc(C3CCCCC3)cc2F)n1
InChIInChI=1S/C18H16F3NO/c19-14-7-6-13(10-23)22-18(14)17-15(20)8-12(9-16(17)21)11-4-2-1-3-5-11/h6-11H,1-5H2
InChIKeyCGCVOPNUQZDSFJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.03
Rot. Bonds3

About 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde

6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde (PubChem CID 137401776) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde
PubChem CID137401776
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ccc(F)c(-c2c(F)cc(C3CCCCC3)cc2F)n1
InChIInChI=1S/C18H16F3NO/c19-14-7-6-13(10-23)22-18(14)17-15(20)8-12(9-16(17)21)11-4-2-1-3-5-11/h6-11H,1-5H2
InChIKeyCGCVOPNUQZDSFJ-UHFFFAOYSA-N
XLogP5.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde (CID 137401776) is 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde is O=Cc1ccc(F)c(-c2c(F)cc(C3CCCCC3)cc2F)n1.
What is the InChIKey of 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde?
The InChIKey is CGCVOPNUQZDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-14-7-6-13(10-23)22-18(14)17-15(20)8-12(9-16(17)21)11-4-2-1-3-5-11/h6-11H,1-5H2.
What are the key properties of 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde?
6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde has a molecular weight of 319.33 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexyl-2,6-difluorophenyl)-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 137401776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).