5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid

C16H15NO4 — CID 58067757

IUPAC5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CC2)cc(O)c1=O
InChIInChI=1S/C16H15NO4/c18-13-9-17(8-12(14(13)19)15(20)21)10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,20,21)
InChIKeyMHTZGPRQOCXDMV-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.98
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067757) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
PubChem CID58067757
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CC2)cc(O)c1=O
InChIInChI=1S/C16H15NO4/c18-13-9-17(8-12(14(13)19)15(20)21)10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,20,21)
InChIKeyMHTZGPRQOCXDMV-UHFFFAOYSA-N
XLogP1.98
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid (CID 58067757) is 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)CC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is MHTZGPRQOCXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-13-9-17(8-12(14(13)19)15(20)21)10-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,20,21).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).