[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate

C15H13ClFNO2 — CID 174613153

IUPAC[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cnc(C)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H13ClFNO2/c1-3-13(19)20-12-8-18-9(2)14(15(12)16)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyNLQSGVUVFIJUET-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.16
Rot. Bonds3

About [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate

[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate (PubChem CID 174613153) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate
PubChem CID174613153
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cnc(C)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H13ClFNO2/c1-3-13(19)20-12-8-18-9(2)14(15(12)16)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyNLQSGVUVFIJUET-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate?
The IUPAC name of [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate (CID 174613153) is [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate.
What is the SMILES notation for [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate?
The canonical SMILES for [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate is CCC(=O)Oc1cnc(C)c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate?
The InChIKey is NLQSGVUVFIJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-3-13(19)20-12-8-18-9(2)14(15(12)16)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate?
[4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate has a molecular weight of 293.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(4-fluorophenyl)-6-methyl-3-pyridinyl] propanoate is sourced from PubChem (CID 174613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).