6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid

C10H4Cl2O5 — CID 146635487

IUPAC6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)c(Cl)c(O)c2oc1=O
InChIInChI=1S/C10H4Cl2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)7(13)6(5)12/h1-2,13H,(H,14,15)
InChIKeyRBPANGNOOYAQJK-UHFFFAOYSA-N
MW275.04 g/mol
LogP2.50
Rot. Bonds1

About 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid

6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid (PubChem CID 146635487) has the molecular formula C10H4Cl2O5 and a molecular weight of 275.04 g/mol. Its IUPAC name is 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid
PubChem CID146635487
Molecular FormulaC10H4Cl2O5
Molecular Weight275.04 g/mol
Exact Mass273.94
IUPAC Name6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)c(Cl)c(O)c2oc1=O
InChIInChI=1S/C10H4Cl2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)7(13)6(5)12/h1-2,13H,(H,14,15)
InChIKeyRBPANGNOOYAQJK-UHFFFAOYSA-N
XLogP2.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-3-(6,8-dichloro-2-oxochromene-3-carbonyl)chromen-2-one
CID 12002419
6-chloro-7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307657
6-chloro-7-ethoxy-2-oxochromene-3-carboxylic acid
CID 102543472
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
6-bromo-2-oxobenzo[h]chromene-3-carboxylic acid
CID 918806
2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
CID 83901348
6-bromo-8-nitro-2-oxochromene-3-carboxylic acid
CID 21236027
6-chloro-7-(2-methylpropoxy)-2-oxochromene-3-carboxylic acid
CID 102543476
2-oxochromene-3-carboxylic acid
CID 161011590
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 2283975

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid?
The IUPAC name of 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid (CID 146635487) is 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2cc(Cl)c(Cl)c(O)c2oc1=O.
What is the InChIKey of 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid?
The InChIKey is RBPANGNOOYAQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)7(13)6(5)12/h1-2,13H,(H,14,15).
What are the key properties of 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid?
6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid has a molecular weight of 275.04 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-8-hydroxy-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 146635487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).