methyl 5-(hydroxymethyl)pyridine-2-carboxylate

C8H9NO3 — CID 18974051

IUPACmethyl 5-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CO)cn1
InChIInChI=1S/C8H9NO3/c1-12-8(11)7-3-2-6(5-10)4-9-7/h2-4,10H,5H2,1H3
InChIKeyAXEJHIXDOVLEFC-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.36
Rot. Bonds2

About methyl 5-(hydroxymethyl)pyridine-2-carboxylate

methyl 5-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 18974051) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID18974051
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 5-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CO)cn1
InChIInChI=1S/C8H9NO3/c1-12-8(11)7-3-2-6(5-10)4-9-7/h2-4,10H,5H2,1H3
InChIKeyAXEJHIXDOVLEFC-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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Related Compounds

ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040

Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)pyridine-2-carboxylate (CID 18974051) is methyl 5-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)pyridine-2-carboxylate is COC(=O)c1ccc(CO)cn1.
What is the InChIKey of methyl 5-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is AXEJHIXDOVLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)7-3-2-6(5-10)4-9-7/h2-4,10H,5H2,1H3.
What are the key properties of methyl 5-(hydroxymethyl)pyridine-2-carboxylate?
methyl 5-(hydroxymethyl)pyridine-2-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 5-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 18974051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).