methyl 3-hydroxypyridine-2-carboxylate

C7H7NO3 — CID 819341

IUPACmethyl 3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1O
InChIInChI=1S/C7H7NO3/c1-11-7(10)6-5(9)3-2-4-8-6/h2-4,9H,1H3
InChIKeyMHKKUZDJUGIOBC-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.57
Rot. Bonds1

About methyl 3-hydroxypyridine-2-carboxylate

methyl 3-hydroxypyridine-2-carboxylate (PubChem CID 819341) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl 3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxypyridine-2-carboxylate
PubChem CID819341
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namemethyl 3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1O
InChIInChI=1S/C7H7NO3/c1-11-7(10)6-5(9)3-2-4-8-6/h2-4,9H,1H3
InChIKeyMHKKUZDJUGIOBC-UHFFFAOYSA-N
XLogP0.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxypyridine-2-carboxylate (CID 819341) is methyl 3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxypyridine-2-carboxylate is COC(=O)c1ncccc1O.
What is the InChIKey of methyl 3-hydroxypyridine-2-carboxylate?
The InChIKey is MHKKUZDJUGIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7(10)6-5(9)3-2-4-8-6/h2-4,9H,1H3.
What are the key properties of methyl 3-hydroxypyridine-2-carboxylate?
methyl 3-hydroxypyridine-2-carboxylate has a molecular weight of 153.14 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 819341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).