2H-chromene;pyridine-2-carboxylic acid

C15H13NO3 — CID 146593275

IUPAC2H-chromene;pyridine-2-carboxylic acid
SMILESC1=Cc2ccccc2OC1.O=C(O)c1ccccn1
InChIInChI=1S/C9H8O.C6H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6(9)5-3-1-2-4-7-5/h1-6H,7H2;1-4H,(H,8,9)
InChIKeyOTEPNGTXUQHEQM-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.87
Rot. Bonds1

About 2H-chromene;pyridine-2-carboxylic acid

2H-chromene;pyridine-2-carboxylic acid (PubChem CID 146593275) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2H-chromene;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2H-chromene;pyridine-2-carboxylic acid
PubChem CID146593275
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2H-chromene;pyridine-2-carboxylic acid
SMILESC1=Cc2ccccc2OC1.O=C(O)c1ccccn1
InChIInChI=1S/C9H8O.C6H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6(9)5-3-1-2-4-7-5/h1-6H,7H2;1-4H,(H,8,9)
InChIKeyOTEPNGTXUQHEQM-UHFFFAOYSA-N
XLogP2.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;pyridine-2-carboxylic acid?
The IUPAC name of 2H-chromene;pyridine-2-carboxylic acid (CID 146593275) is 2H-chromene;pyridine-2-carboxylic acid.
What is the SMILES notation for 2H-chromene;pyridine-2-carboxylic acid?
The canonical SMILES for 2H-chromene;pyridine-2-carboxylic acid is C1=Cc2ccccc2OC1.O=C(O)c1ccccn1.
What is the InChIKey of 2H-chromene;pyridine-2-carboxylic acid?
The InChIKey is OTEPNGTXUQHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C6H5NO2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6(9)5-3-1-2-4-7-5/h1-6H,7H2;1-4H,(H,8,9).
What are the key properties of 2H-chromene;pyridine-2-carboxylic acid?
2H-chromene;pyridine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;pyridine-2-carboxylic acid is sourced from PubChem (CID 146593275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).