propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate

C15H13ClFNO2 — CID 126645974

IUPACpropan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClFNO2/c1-9(2)20-15(19)13-8-7-12(17)14(18-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3
InChIKeyXNPOFQKOYWEWQD-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.11
Rot. Bonds3

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

propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 126645974) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate
PubChem CID126645974
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Namepropan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(F)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClFNO2/c1-9(2)20-15(19)13-8-7-12(17)14(18-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3
InChIKeyXNPOFQKOYWEWQD-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.11
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)-5-fluoropyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate (CID 126645974) is propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate is CC(C)OC(=O)c1ccc(F)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is XNPOFQKOYWEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9(2)20-15(19)13-8-7-12(17)14(18-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3.
What are the key properties of propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate?
propan-2-yl 6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 293.73 g/mol, XLogP of 4.11, 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)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 126645974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).