methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate

C10H11NO2 — CID 77230428

IUPACmethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC2
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-6-5-7-3-2-4-8(7)11-9/h5-6H,2-4H2,1H3
InChIKeySKDLNMGWOZEBPZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.36
Rot. Bonds1

About methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate

methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate (PubChem CID 77230428) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
PubChem CID77230428
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC2
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-6-5-7-3-2-4-8(7)11-9/h5-6H,2-4H2,1H3
InChIKeySKDLNMGWOZEBPZ-UHFFFAOYSA-N
XLogP1.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
6-Phenylpyridine-2-carboxylic Acid
CID 2762884
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
Methyl 5,8-dioxoquinoline-2-carboxylate
CID 9859230
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
Fusarate
CID 1549029
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The IUPAC name of methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate (CID 77230428) is methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The canonical SMILES for methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate is COC(=O)c1ccc2c(n1)CCC2.
What is the InChIKey of methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
The InChIKey is SKDLNMGWOZEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)9-6-5-7-3-2-4-8(7)11-9/h5-6H,2-4H2,1H3.
What are the key properties of methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate?
methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate is sourced from PubChem (CID 77230428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).