(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol

C8H8BrNO2 — CID 135256404

IUPAC(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol
SMILESOCc1cc(Br)c2c(n1)CCO2
InChIInChI=1S/C8H8BrNO2/c9-6-3-5(4-11)10-7-1-2-12-8(6)7/h3,11H,1-2,4H2
InChIKeyAGRJAAGCOPVKRN-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.27
Rot. Bonds1

About (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol

(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol (PubChem CID 135256404) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol
PubChem CID135256404
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol
SMILESOCc1cc(Br)c2c(n1)CCO2
InChIInChI=1S/C8H8BrNO2/c9-6-3-5(4-11)10-7-1-2-12-8(6)7/h3,11H,1-2,4H2
InChIKeyAGRJAAGCOPVKRN-UHFFFAOYSA-N
XLogP1.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol?
The IUPAC name of (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol (CID 135256404) is (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol.
What is the SMILES notation for (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol?
The canonical SMILES for (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol is OCc1cc(Br)c2c(n1)CCO2.
What is the InChIKey of (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol?
The InChIKey is AGRJAAGCOPVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-3-5(4-11)10-7-1-2-12-8(6)7/h3,11H,1-2,4H2.
What are the key properties of (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol?
(7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol has a molecular weight of 230.06 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,3-dihydrofuro[3,2-b]pyridin-5-yl)methanol is sourced from PubChem (CID 135256404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).