8-bromo-2H-chromene-3-carboxylic acid

C10H7BrO3 — CID 53430959

IUPAC8-bromo-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(Br)c2OC1
InChIInChI=1S/C10H7BrO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-4H,5H2,(H,12,13)
InChIKeyREMJHKGWSWFEBJ-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.31
Rot. Bonds1

About 8-bromo-2H-chromene-3-carboxylic acid

8-bromo-2H-chromene-3-carboxylic acid (PubChem CID 53430959) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 8-bromo-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2H-chromene-3-carboxylic acid
PubChem CID53430959
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name8-bromo-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(Br)c2OC1
InChIInChI=1S/C10H7BrO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-4H,5H2,(H,12,13)
InChIKeyREMJHKGWSWFEBJ-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2H-chromene-3-carboxylic acid?
The IUPAC name of 8-bromo-2H-chromene-3-carboxylic acid (CID 53430959) is 8-bromo-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 8-bromo-2H-chromene-3-carboxylic acid?
The canonical SMILES for 8-bromo-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cccc(Br)c2OC1.
What is the InChIKey of 8-bromo-2H-chromene-3-carboxylic acid?
The InChIKey is REMJHKGWSWFEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-4H,5H2,(H,12,13).
What are the key properties of 8-bromo-2H-chromene-3-carboxylic acid?
8-bromo-2H-chromene-3-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 53430959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).