5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid

C15H13ClN2O3 — CID 62366449

IUPAC5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c16-11-7-9(15(19)20)8-17-14(11)18-12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20)
InChIKeyLXDNLHPYBZOZJT-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid

5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid (PubChem CID 62366449) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
PubChem CID62366449
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c16-11-7-9(15(19)20)8-17-14(11)18-12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20)
InChIKeyLXDNLHPYBZOZJT-UHFFFAOYSA-N
XLogP3.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid (CID 62366449) is 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(NC2CCOc3ccccc32)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid?
The InChIKey is LXDNLHPYBZOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-7-9(15(19)20)8-17-14(11)18-12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid?
5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62366449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).