propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate

C15H12ClF2NO2 — CID 86709878

IUPACpropan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(F)c(F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClF2NO2/c1-8(2)21-15(20)12-7-11(17)13(18)14(19-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyFWPXDYCSECBKSZ-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.25
Rot. Bonds3

About propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate

propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate (PubChem CID 86709878) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate
PubChem CID86709878
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Namepropan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(F)c(F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClF2NO2/c1-8(2)21-15(20)12-7-11(17)13(18)14(19-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyFWPXDYCSECBKSZ-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate (CID 86709878) is propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate is CC(C)OC(=O)c1cc(F)c(F)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate?
The InChIKey is FWPXDYCSECBKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-8(2)21-15(20)12-7-11(17)13(18)14(19-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3.
What are the key properties of propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate?
propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate has a molecular weight of 311.72 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 86709878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).