6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid

C17H10ClNO6 — CID 89326131

IUPAC6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid
SMILESCc1cc(=O)oc2c(C=O)c(Oc3nc(Cl)ccc3C(=O)O)ccc12
InChIInChI=1S/C17H10ClNO6/c1-8-6-14(21)25-15-9(8)2-4-12(11(15)7-20)24-16-10(17(22)23)3-5-13(18)19-16/h2-7H,1H3,(H,22,23)
InChIKeySHBWMIBUZPLFPL-UHFFFAOYSA-N
MW359.72 g/mol
LogP3.45
Rot. Bonds4

About 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid

6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid (PubChem CID 89326131) has the molecular formula C17H10ClNO6 and a molecular weight of 359.72 g/mol. Its IUPAC name is 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid
PubChem CID89326131
Molecular FormulaC17H10ClNO6
Molecular Weight359.72 g/mol
Exact Mass359.02
IUPAC Name6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid
SMILESCc1cc(=O)oc2c(C=O)c(Oc3nc(Cl)ccc3C(=O)O)ccc12
InChIInChI=1S/C17H10ClNO6/c1-8-6-14(21)25-15-9(8)2-4-12(11(15)7-20)24-16-10(17(22)23)3-5-13(18)19-16/h2-7H,1H3,(H,22,23)
InChIKeySHBWMIBUZPLFPL-UHFFFAOYSA-N
XLogP3.45
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid (CID 89326131) is 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid is Cc1cc(=O)oc2c(C=O)c(Oc3nc(Cl)ccc3C(=O)O)ccc12.
What is the InChIKey of 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid?
The InChIKey is SHBWMIBUZPLFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO6/c1-8-6-14(21)25-15-9(8)2-4-12(11(15)7-20)24-16-10(17(22)23)3-5-13(18)19-16/h2-7H,1H3,(H,22,23).
What are the key properties of 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid?
6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid has a molecular weight of 359.72 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(8-formyl-4-methyl-2-oxochromen-7-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 89326131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).