7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one

C12H4BrClFNO2 — CID 57475642

IUPAC7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one
SMILESO=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12
InChIInChI=1S/C12H4BrClFNO2/c13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h1-4H
InChIKeyPEWKYFRBJATYHX-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.90
Rot. Bonds

About 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one

7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one (PubChem CID 57475642) has the molecular formula C12H4BrClFNO2 and a molecular weight of 328.52 g/mol. Its IUPAC name is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one
PubChem CID57475642
Molecular FormulaC12H4BrClFNO2
Molecular Weight328.52 g/mol
Exact Mass326.91
IUPAC Name7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one
SMILESO=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12
InChIInChI=1S/C12H4BrClFNO2/c13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h1-4H
InChIKeyPEWKYFRBJATYHX-UHFFFAOYSA-N
XLogP3.90
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one?
The IUPAC name of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one (CID 57475642) is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one.
What is the SMILES notation for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one?
The canonical SMILES for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one is O=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12.
What is the InChIKey of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one?
The InChIKey is PEWKYFRBJATYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrClFNO2/c13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h1-4H.
What are the key properties of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one?
7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one has a molecular weight of 328.52 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one is sourced from PubChem (CID 57475642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).