methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate

C11H11NO3 — CID 147773353

IUPACmethyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(CO)=C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)8-2-3-12-10-5-7(6-13)4-9(8)10/h2-3,5,13H,4,6H2,1H3
InChIKeyHGJABNCSCBVZSE-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.80
Rot. Bonds2

About methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate

methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 147773353) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
PubChem CID147773353
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(CO)=C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)8-2-3-12-10-5-7(6-13)4-9(8)10/h2-3,5,13H,4,6H2,1H3
InChIKeyHGJABNCSCBVZSE-UHFFFAOYSA-N
XLogP0.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 157410943
methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate
CID 147865294
methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 158337857
6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
CID 158052958
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 3-hydroxy-2-iodopyridine-4-carboxylate
CID 167511597
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
dimethyl 3-(4-methoxycarbonylanilino)pyridine-2,4-dicarboxylate
CID 50915752
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 7-acetylquinoline-4-carboxylate
CID 170539761

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate (CID 147773353) is methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate is COC(=O)c1ccnc2c1CC(CO)=C2.
What is the InChIKey of methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The InChIKey is HGJABNCSCBVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)8-2-3-12-10-5-7(6-13)4-9(8)10/h2-3,5,13H,4,6H2,1H3.
What are the key properties of methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 147773353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).