methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate

C7H11NO3 — CID 130828709

IUPACmethyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(O)CC1
InChIInChI=1S/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4,6,9H,3,5H2,1H3
InChIKeyCKBXHYSZQXJCFF-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.33
Rot. Bonds

About methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate

methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 130828709) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID130828709
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(O)CC1
InChIInChI=1S/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4,6,9H,3,5H2,1H3
InChIKeyCKBXHYSZQXJCFF-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate (CID 130828709) is methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CC(O)CC1.
What is the InChIKey of methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CKBXHYSZQXJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4,6,9H,3,5H2,1H3.
What are the key properties of methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 130828709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).