6-chloro-2H-chromene-3-carboxylic acid

C10H7ClO3 — CID 596929

IUPAC6-chloro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C10H7ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13)
InChIKeyZRCGKWSNRRTAJY-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.20
Rot. Bonds1

About 6-chloro-2H-chromene-3-carboxylic acid

6-chloro-2H-chromene-3-carboxylic acid (PubChem CID 596929) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2H-chromene-3-carboxylic acid
PubChem CID596929
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name6-chloro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C10H7ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13)
InChIKeyZRCGKWSNRRTAJY-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-2H-chromene-3-carboxylic acid (CID 596929) is 6-chloro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-2H-chromene-3-carboxylic acid?
The InChIKey is ZRCGKWSNRRTAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of 6-chloro-2H-chromene-3-carboxylic acid?
6-chloro-2H-chromene-3-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 596929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).