1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one

C19H13ClF2N2O2 — CID 118431394

IUPAC1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C19H13ClF2N2O2/c20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22/h1,3-6,8-11H,2,7H2
InChIKeyKASSMHZGIVBDJJ-UHFFFAOYSA-N
MW374.77 g/mol
LogP5.02
Rot. Bonds6

About 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one

1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one (PubChem CID 118431394) has the molecular formula C19H13ClF2N2O2 and a molecular weight of 374.77 g/mol. Its IUPAC name is 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one
PubChem CID118431394
Molecular FormulaC19H13ClF2N2O2
Molecular Weight374.77 g/mol
Exact Mass374.06
IUPAC Name1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C19H13ClF2N2O2/c20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22/h1,3-6,8-11H,2,7H2
InChIKeyKASSMHZGIVBDJJ-UHFFFAOYSA-N
XLogP5.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.77
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one (CID 118431394) is 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one is O=C(CCc1ccc(F)cc1F)c1ccc(Oc2ccc(Cl)cn2)cn1.
What is the InChIKey of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one?
The InChIKey is KASSMHZGIVBDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2/c20-13-3-8-19(24-10-13)26-15-5-6-17(23-11-15)18(25)7-2-12-1-4-14(21)9-16(12)22/h1,3-6,8-11H,2,7H2.
What are the key properties of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one?
1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one has a molecular weight of 374.77 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 118431394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).