ethyl 4-(hydroxymethyl)pyridine-3-carboxylate

C9H11NO3 — CID 112757154

IUPACethyl 4-(hydroxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1CO
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)8-5-10-4-3-7(8)6-11/h3-5,11H,2,6H2,1H3
InChIKeyLNSPRABUWJKKRN-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.75
Rot. Bonds3

About ethyl 4-(hydroxymethyl)pyridine-3-carboxylate

ethyl 4-(hydroxymethyl)pyridine-3-carboxylate (PubChem CID 112757154) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)pyridine-3-carboxylate
PubChem CID112757154
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 4-(hydroxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1CO
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)8-5-10-4-3-7(8)6-11/h3-5,11H,2,6H2,1H3
InChIKeyLNSPRABUWJKKRN-UHFFFAOYSA-N
XLogP0.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl thieno[3,2-c]pyridine-3-carboxylate
CID 68730980
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 114700911
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
ethyl 1-[(3-methyl-4-pyridinyl)methyl]imidazole-4-carboxylate
CID 114203788
ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
CID 71119003
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
CID 138968210

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)pyridine-3-carboxylate (CID 112757154) is ethyl 4-(hydroxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)pyridine-3-carboxylate is CCOC(=O)c1cnccc1CO.
What is the InChIKey of ethyl 4-(hydroxymethyl)pyridine-3-carboxylate?
The InChIKey is LNSPRABUWJKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)8-5-10-4-3-7(8)6-11/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 4-(hydroxymethyl)pyridine-3-carboxylate?
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 112757154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).