1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol

C14H12BrNO3 — CID 135391430

IUPAC1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
SMILESCc1ncc2c(c1O)C(c1cc(Br)ccc1O)OC2
InChIInChI=1S/C14H12BrNO3/c1-7-13(18)12-8(5-16-7)6-19-14(12)10-4-9(15)2-3-11(10)17/h2-5,14,17-18H,6H2,1H3
InChIKeyFEYIFFWFLVVCNI-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.18
Rot. Bonds1

About 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol

1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol (PubChem CID 135391430) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
PubChem CID135391430
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
SMILESCc1ncc2c(c1O)C(c1cc(Br)ccc1O)OC2
InChIInChI=1S/C14H12BrNO3/c1-7-13(18)12-8(5-16-7)6-19-14(12)10-4-9(15)2-3-11(10)17/h2-5,14,17-18H,6H2,1H3
InChIKeyFEYIFFWFLVVCNI-UHFFFAOYSA-N
XLogP3.18
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol?
The IUPAC name of 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol (CID 135391430) is 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol.
What is the SMILES notation for 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol?
The canonical SMILES for 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol is Cc1ncc2c(c1O)C(c1cc(Br)ccc1O)OC2.
What is the InChIKey of 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol?
The InChIKey is FEYIFFWFLVVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-7-13(18)12-8(5-16-7)6-19-14(12)10-4-9(15)2-3-11(10)17/h2-5,14,17-18H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol?
1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol has a molecular weight of 322.16 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxyphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol is sourced from PubChem (CID 135391430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).