8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one

C19H10BrNO4 — CID 142741660

IUPAC8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one
SMILESO=C(c1cnc2c(c1)c(=O)oc1cc(Br)ccc12)c1ccccc1O
InChIInChI=1S/C19H10BrNO4/c20-11-5-6-13-16(8-11)25-19(24)14-7-10(9-21-17(13)14)18(23)12-3-1-2-4-15(12)22/h1-9,22H
InChIKeyMDBHTPBYLDLEJA-UHFFFAOYSA-N
MW396.20 g/mol
LogP4.04
Rot. Bonds2

About 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one

8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one (PubChem CID 142741660) has the molecular formula C19H10BrNO4 and a molecular weight of 396.20 g/mol. Its IUPAC name is 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one
PubChem CID142741660
Molecular FormulaC19H10BrNO4
Molecular Weight396.20 g/mol
Exact Mass394.98
IUPAC Name8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one
SMILESO=C(c1cnc2c(c1)c(=O)oc1cc(Br)ccc12)c1ccccc1O
InChIInChI=1S/C19H10BrNO4/c20-11-5-6-13-16(8-11)25-19(24)14-7-10(9-21-17(13)14)18(23)12-3-1-2-4-15(12)22/h1-9,22H
InChIKeyMDBHTPBYLDLEJA-UHFFFAOYSA-N
XLogP4.04
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one?
The IUPAC name of 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one (CID 142741660) is 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one is O=C(c1cnc2c(c1)c(=O)oc1cc(Br)ccc12)c1ccccc1O.
What is the InChIKey of 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one?
The InChIKey is MDBHTPBYLDLEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrNO4/c20-11-5-6-13-16(8-11)25-19(24)14-7-10(9-21-17(13)14)18(23)12-3-1-2-4-15(12)22/h1-9,22H.
What are the key properties of 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one?
8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one has a molecular weight of 396.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-hydroxybenzoyl)chromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 142741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).