methyl 6-(hydroxymethyl)pyridine-3-carboxylate

C8H9NO3 — CID 789414

IUPACmethyl 6-(hydroxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CO)nc1
InChIInChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3
InChIKeyQVLONHSXRWCCAE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.36
Rot. Bonds2

About methyl 6-(hydroxymethyl)pyridine-3-carboxylate

methyl 6-(hydroxymethyl)pyridine-3-carboxylate (PubChem CID 789414) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)pyridine-3-carboxylate
PubChem CID789414
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 6-(hydroxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CO)nc1
InChIInChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3
InChIKeyQVLONHSXRWCCAE-UHFFFAOYSA-N
XLogP0.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)pyridine-3-carboxylate (CID 789414) is methyl 6-(hydroxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)pyridine-3-carboxylate is COC(=O)c1ccc(CO)nc1.
What is the InChIKey of methyl 6-(hydroxymethyl)pyridine-3-carboxylate?
The InChIKey is QVLONHSXRWCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3.
What are the key properties of methyl 6-(hydroxymethyl)pyridine-3-carboxylate?
methyl 6-(hydroxymethyl)pyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 789414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).