chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one

C22H14Cl3NO5 — CID 158624582

IUPACchloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one
SMILESClC(Cl)Cl.O=c1c2ccccc2oc2cc(O)cnc12.O=c1ccoc2ccccc12
InChIInChI=1S/C12H7NO3.C9H6O2.CHCl3/c14-7-5-10-11(13-6-7)12(15)8-3-1-2-4-9(8)16-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1(3)4/h1-6,14H;1-6H;1H
InChIKeyHYKUEHIUHYIUML-UHFFFAOYSA-N
MW478.72 g/mol
LogP5.83
Rot. Bonds

About chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one

chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one (PubChem CID 158624582) has the molecular formula C22H14Cl3NO5 and a molecular weight of 478.72 g/mol. Its IUPAC name is chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one.

Molecular Properties

Compound Namechloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one
PubChem CID158624582
Molecular FormulaC22H14Cl3NO5
Molecular Weight478.72 g/mol
Exact Mass476.99
IUPAC Namechloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one
SMILESClC(Cl)Cl.O=c1c2ccccc2oc2cc(O)cnc12.O=c1ccoc2ccccc12
InChIInChI=1S/C12H7NO3.C9H6O2.CHCl3/c14-7-5-10-11(13-6-7)12(15)8-3-1-2-4-9(8)16-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1(3)4/h1-6,14H;1-6H;1H
InChIKeyHYKUEHIUHYIUML-UHFFFAOYSA-N
XLogP5.83
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one?
The IUPAC name of chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one (CID 158624582) is chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one.
What is the SMILES notation for chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one?
The canonical SMILES for chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one is ClC(Cl)Cl.O=c1c2ccccc2oc2cc(O)cnc12.O=c1ccoc2ccccc12.
What is the InChIKey of chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one?
The InChIKey is HYKUEHIUHYIUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3.C9H6O2.CHCl3/c14-7-5-10-11(13-6-7)12(15)8-3-1-2-4-9(8)16-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1(3)4/h1-6,14H;1-6H;1H.
What are the key properties of chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one?
chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one has a molecular weight of 478.72 g/mol, XLogP of 5.83, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one is sourced from PubChem (CID 158624582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).