methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate

C10H10ClNO2 — CID 156861977

IUPACmethyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2ccnc(Cl)c2C1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7/h2-3,7H,4-5H2,1H3
InChIKeyQDOGVWQTPYNBTB-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.62
Rot. Bonds1

About methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate

methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate (PubChem CID 156861977) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate
PubChem CID156861977
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2ccnc(Cl)c2C1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7/h2-3,7H,4-5H2,1H3
InChIKeyQDOGVWQTPYNBTB-UHFFFAOYSA-N
XLogP1.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate (CID 156861977) is methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate is COC(=O)C1Cc2ccnc(Cl)c2C1.
What is the InChIKey of methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate?
The InChIKey is QDOGVWQTPYNBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7/h2-3,7H,4-5H2,1H3.
What are the key properties of methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate?
methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate has a molecular weight of 211.65 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate is sourced from PubChem (CID 156861977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).