methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate

C8H11NO3 — CID 130128914

IUPACmethyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1CO
InChIInChI=1S/C8H11NO3/c1-12-8(11)9-5-3-2-4-7(9)6-10/h2-5,7,10H,6H2,1H3
InChIKeyIQZPFFIFZPNNNE-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.50
Rot. Bonds1

About methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate

methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate (PubChem CID 130128914) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
PubChem CID130128914
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1CO
InChIInChI=1S/C8H11NO3/c1-12-8(11)9-5-3-2-4-7(9)6-10/h2-5,7,10H,6H2,1H3
InChIKeyIQZPFFIFZPNNNE-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate (CID 130128914) is methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=CC1CO.
What is the InChIKey of methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The InChIKey is IQZPFFIFZPNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-8(11)9-5-3-2-4-7(9)6-10/h2-5,7,10H,6H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate?
methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 130128914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).