10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine

C11H11BrN2 — CID 66727883

IUPAC10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
SMILESBrc1c2n(c3cccnc13)CCCC2
InChIInChI=1S/C11H11BrN2/c12-10-8-4-1-2-7-14(8)9-5-3-6-13-11(9)10/h3,5-6H,1-2,4,7H2
InChIKeyADKHBLAERHJVSI-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.14
Rot. Bonds

About 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine

10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine (PubChem CID 66727883) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine.

Molecular Properties

Compound Name10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
PubChem CID66727883
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
SMILESBrc1c2n(c3cccnc13)CCCC2
InChIInChI=1S/C11H11BrN2/c12-10-8-4-1-2-7-14(8)9-5-3-6-13-11(9)10/h3,5-6H,1-2,4,7H2
InChIKeyADKHBLAERHJVSI-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The IUPAC name of 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine (CID 66727883) is 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine.
What is the SMILES notation for 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The canonical SMILES for 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine is Brc1c2n(c3cccnc13)CCCC2.
What is the InChIKey of 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The InChIKey is ADKHBLAERHJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-10-8-4-1-2-7-14(8)9-5-3-6-13-11(9)10/h3,5-6H,1-2,4,7H2.
What are the key properties of 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine has a molecular weight of 251.13 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-6,7,8,9-tetrahydropyrido[2,3-b]indolizine is sourced from PubChem (CID 66727883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).