2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid

C15H10ClNO3 — CID 44611197

IUPAC2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1c1ccc(Cl)nc1
InChIInChI=1S/C15H10ClNO3/c16-13-6-5-10(8-17-13)14-11(15(18)19)7-9-3-1-2-4-12(9)20-14/h1-8,14H,(H,18,19)
InChIKeyYSQVYQRANJMDAA-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.34
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid

2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid (PubChem CID 44611197) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid
PubChem CID44611197
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1c1ccc(Cl)nc1
InChIInChI=1S/C15H10ClNO3/c16-13-6-5-10(8-17-13)14-11(15(18)19)7-9-3-1-2-4-12(9)20-14/h1-8,14H,(H,18,19)
InChIKeyYSQVYQRANJMDAA-UHFFFAOYSA-N
XLogP3.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid (CID 44611197) is 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2ccccc2OC1c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid?
The InChIKey is YSQVYQRANJMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-13-6-5-10(8-17-13)14-11(15(18)19)7-9-3-1-2-4-12(9)20-14/h1-8,14H,(H,18,19).
What are the key properties of 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid?
2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 44611197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).