5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine

C8H8BrNO — CID 68737919

IUPAC5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine
SMILESBrc1cncc2c1CCCO2
InChIInChI=1S/C8H8BrNO/c9-7-4-10-5-8-6(7)2-1-3-11-8/h4-5H,1-3H2
InChIKeyCYHUILOIZFHIKS-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.17
Rot. Bonds

About 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine

5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine (PubChem CID 68737919) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine
PubChem CID68737919
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine
SMILESBrc1cncc2c1CCCO2
InChIInChI=1S/C8H8BrNO/c9-7-4-10-5-8-6(7)2-1-3-11-8/h4-5H,1-3H2
InChIKeyCYHUILOIZFHIKS-UHFFFAOYSA-N
XLogP2.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine?
The IUPAC name of 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine (CID 68737919) is 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine?
The canonical SMILES for 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine is Brc1cncc2c1CCCO2.
What is the InChIKey of 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine?
The InChIKey is CYHUILOIZFHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-7-4-10-5-8-6(7)2-1-3-11-8/h4-5H,1-3H2.
What are the key properties of 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine?
5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine has a molecular weight of 214.06 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine is sourced from PubChem (CID 68737919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).