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

C13H7BrClNO2 — CID 58465909

IUPAC7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one
SMILESCc1nc(Cl)cc2c(=O)c3cc(Br)ccc3oc12
InChIInChI=1S/C13H7BrClNO2/c1-6-13-9(5-11(15)16-6)12(17)8-4-7(14)2-3-10(8)18-13/h2-5H,1H3
InChIKeyBVKZRRHSKIEBJC-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.07
Rot. Bonds

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

7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one (PubChem CID 58465909) has the molecular formula C13H7BrClNO2 and a molecular weight of 324.56 g/mol. Its IUPAC name is 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one
PubChem CID58465909
Molecular FormulaC13H7BrClNO2
Molecular Weight324.56 g/mol
Exact Mass322.93
IUPAC Name7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one
SMILESCc1nc(Cl)cc2c(=O)c3cc(Br)ccc3oc12
InChIInChI=1S/C13H7BrClNO2/c1-6-13-9(5-11(15)16-6)12(17)8-4-7(14)2-3-10(8)18-13/h2-5H,1H3
InChIKeyBVKZRRHSKIEBJC-UHFFFAOYSA-N
XLogP4.07
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.07
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-methylchromeno[2,3-c]pyridin-5-one?
The IUPAC name of 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one (CID 58465909) is 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one.
What is the SMILES notation for 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one?
The canonical SMILES for 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one is Cc1nc(Cl)cc2c(=O)c3cc(Br)ccc3oc12.
What is the InChIKey of 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one?
The InChIKey is BVKZRRHSKIEBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO2/c1-6-13-9(5-11(15)16-6)12(17)8-4-7(14)2-3-10(8)18-13/h2-5H,1H3.
What are the key properties of 7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one?
7-bromo-3-chloro-1-methylchromeno[2,3-c]pyridin-5-one has a molecular weight of 324.56 g/mol, XLogP of 4.07, 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-methylchromeno[2,3-c]pyridin-5-one is sourced from PubChem (CID 58465909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).