benzyl 3-(hydroxymethyl)pyridine-2-carboxylate

C14H13NO3 — CID 145128484

IUPACbenzyl 3-(hydroxymethyl)pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ncccc1CO
InChIInChI=1S/C14H13NO3/c16-9-12-7-4-8-15-13(12)14(17)18-10-11-5-2-1-3-6-11/h1-8,16H,9-10H2
InChIKeyRSLUMOXPBFZOLX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.93
Rot. Bonds4

About benzyl 3-(hydroxymethyl)pyridine-2-carboxylate

benzyl 3-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 145128484) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is benzyl 3-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID145128484
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namebenzyl 3-(hydroxymethyl)pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ncccc1CO
InChIInChI=1S/C14H13NO3/c16-9-12-7-4-8-15-13(12)14(17)18-10-11-5-2-1-3-6-11/h1-8,16H,9-10H2
InChIKeyRSLUMOXPBFZOLX-UHFFFAOYSA-N
XLogP1.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-nitropyridine-2-carboxylate
CID 19034701
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
tert-butyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 133061351
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
benzyl 8-phenylmethoxyquinoline-7-carboxylate
CID 77134381
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
CID 150554414
benzyl benzoate
CID 2345
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658
(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate
CID 175032334
3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of benzyl 3-(hydroxymethyl)pyridine-2-carboxylate (CID 145128484) is benzyl 3-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for benzyl 3-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for benzyl 3-(hydroxymethyl)pyridine-2-carboxylate is O=C(OCc1ccccc1)c1ncccc1CO.
What is the InChIKey of benzyl 3-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is RSLUMOXPBFZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-9-12-7-4-8-15-13(12)14(17)18-10-11-5-2-1-3-6-11/h1-8,16H,9-10H2.
What are the key properties of benzyl 3-(hydroxymethyl)pyridine-2-carboxylate?
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 145128484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).