2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one

C20H11ClFNO2 — CID 56594666

IUPAC2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)oc2ccccc12
InChIInChI=1S/C20H11ClFNO2/c21-17-11-13(9-10-23-17)20-18(12-5-7-14(22)8-6-12)19(24)15-3-1-2-4-16(15)25-20/h1-11H
InChIKeyBYBFWIAMPFYHEX-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.31
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one

2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one (PubChem CID 56594666) has the molecular formula C20H11ClFNO2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one
PubChem CID56594666
Molecular FormulaC20H11ClFNO2
Molecular Weight351.76 g/mol
Exact Mass351.05
IUPAC Name2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)oc2ccccc12
InChIInChI=1S/C20H11ClFNO2/c21-17-11-13(9-10-23-17)20-18(12-5-7-14(22)8-6-12)19(24)15-3-1-2-4-16(15)25-20/h1-11H
InChIKeyBYBFWIAMPFYHEX-UHFFFAOYSA-N
XLogP5.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one (CID 56594666) is 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)oc2ccccc12.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one?
The InChIKey is BYBFWIAMPFYHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFNO2/c21-17-11-13(9-10-23-17)20-18(12-5-7-14(22)8-6-12)19(24)15-3-1-2-4-16(15)25-20/h1-11H.
What are the key properties of 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one?
2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one has a molecular weight of 351.76 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one is sourced from PubChem (CID 56594666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).