methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate

C16H19NO3 — CID 147865294

IUPACmethyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(C1(O)CCCCC1)=C2
InChIInChI=1S/C16H19NO3/c1-20-15(18)12-5-8-17-14-10-11(9-13(12)14)16(19)6-3-2-4-7-16/h5,8,10,19H,2-4,6-7,9H2,1H3
InChIKeyHXNLYMDIERGZMZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.50
Rot. Bonds2

About methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate

methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 147865294) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate
PubChem CID147865294
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(C1(O)CCCCC1)=C2
InChIInChI=1S/C16H19NO3/c1-20-15(18)12-5-8-17-14-10-11(9-13(12)14)16(19)6-3-2-4-7-16/h5,8,10,19H,2-4,6-7,9H2,1H3
InChIKeyHXNLYMDIERGZMZ-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
CID 147773353
methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 158337857
methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 157410943
methyl 4-(1-hydroxycyclopentyl)benzoate
CID 130120514
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
CID 66287095
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
CID 131192690
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 3-hydroxy-2-iodopyridine-4-carboxylate
CID 167511597

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate (CID 147865294) is methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate is COC(=O)c1ccnc2c1CC(C1(O)CCCCC1)=C2.
What is the InChIKey of methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
The InChIKey is HXNLYMDIERGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-15(18)12-5-8-17-14-10-11(9-13(12)14)16(19)6-3-2-4-7-16/h5,8,10,19H,2-4,6-7,9H2,1H3.
What are the key properties of methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate?
methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 147865294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).