methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

C10H10BrNO2 — CID 177053844

IUPACmethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2cc(Br)cnc2C1
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-2-6-3-8(11)5-12-9(6)4-7/h3,5,7H,2,4H2,1H3
InChIKeyVFEPEYQPRVFJSW-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.73
Rot. Bonds1

About methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate

methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate (PubChem CID 177053844) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
PubChem CID177053844
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Namemethyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2cc(Br)cnc2C1
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-2-6-3-8(11)5-12-9(6)4-7/h3,5,7H,2,4H2,1H3
InChIKeyVFEPEYQPRVFJSW-UHFFFAOYSA-N
XLogP1.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate (CID 177053844) is methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate is COC(=O)C1Cc2cc(Br)cnc2C1.
What is the InChIKey of methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
The InChIKey is VFEPEYQPRVFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-10(13)7-2-6-3-8(11)5-12-9(6)4-7/h3,5,7H,2,4H2,1H3.
What are the key properties of methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate?
methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate has a molecular weight of 256.10 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate is sourced from PubChem (CID 177053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).