(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C8H8BrNO2 — CID 170899315

IUPAC(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESO[C@@H]1COCc2c(Br)cncc21
InChIInChI=1S/C8H8BrNO2/c9-7-2-10-1-5-6(7)3-12-4-8(5)11/h1-2,8,11H,3-4H2/t8-/m1/s1
InChIKeySUJMBLINUSAWKL-MRVPVSSYSA-N
MW230.06 g/mol
LogP1.41
Rot. Bonds

About (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 170899315) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID170899315
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESO[C@@H]1COCc2c(Br)cncc21
InChIInChI=1S/C8H8BrNO2/c9-7-2-10-1-5-6(7)3-12-4-8(5)11/h1-2,8,11H,3-4H2/t8-/m1/s1
InChIKeySUJMBLINUSAWKL-MRVPVSSYSA-N
XLogP1.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 121389373
7-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2,3-dihydrochromen-4-one
CID 121389428
2-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-6,7-dihydrocyclopenta[b]pyridin-5-one
CID 121379059
8-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 121389445
8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 138726326
8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;(4-cyanocyclohexen-1-yl) trifluoromethanesulfonate;4-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)cyclohex-3-ene-1-carbonitrile;8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 158555276
6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 121389340
(7S)-4-bromo-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
CID 97298159
5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine
CID 68737919
8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
CID 142279492
3-bromo-4-chloro-5-cyclopropylpyridine
CID 70977875
4-bromo-3-(oxiran-2-yl)pyridine
CID 102567811

Frequently Asked Questions

What is the IUPAC name of (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 170899315) is (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is O[C@@H]1COCc2c(Br)cncc21.
What is the InChIKey of (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is SUJMBLINUSAWKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7-2-10-1-5-6(7)3-12-4-8(5)11/h1-2,8,11H,3-4H2/t8-/m1/s1.
What are the key properties of (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
(4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 230.06 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 170899315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).