5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid

C19H21NO5 — CID 58067512

IUPAC5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyORHRJFVJWYTKJO-RDJZCZTQSA-N
MW343.38 g/mol
LogP2.95
Rot. Bonds5

About 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid (PubChem CID 58067512) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
PubChem CID58067512
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyORHRJFVJWYTKJO-RDJZCZTQSA-N
XLogP2.95
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid (CID 58067512) is 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid is O=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The InChIKey is ORHRJFVJWYTKJO-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1.
What are the key properties of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).