3-[(3-bromo-2-pyridinyl)sulfanyl]phenol

C11H8BrNOS — CID 104591047

IUPAC3-[(3-bromo-2-pyridinyl)sulfanyl]phenol
SMILESOc1cccc(Sc2ncccc2Br)c1
InChIInChI=1S/C11H8BrNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H
InChIKeyGMOLMPNRZCZRQP-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.70
Rot. Bonds2

About 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol

3-[(3-bromo-2-pyridinyl)sulfanyl]phenol (PubChem CID 104591047) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)sulfanyl]phenol
PubChem CID104591047
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name3-[(3-bromo-2-pyridinyl)sulfanyl]phenol
SMILESOc1cccc(Sc2ncccc2Br)c1
InChIInChI=1S/C11H8BrNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H
InChIKeyGMOLMPNRZCZRQP-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
CID 104590879
3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol
CID 104590976
4-[(3-bromo-2-pyridinyl)sulfanyl]benzoic acid
CID 61373158
3-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
CID 113318405
3-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridine
CID 113318600
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
2-(3-hydroxyphenyl)sulfanyl-3-nitropyridine-4-carbonitrile
CID 104576647
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
CID 64589786
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylbenzoic acid
CID 107112696
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol (CID 104591047) is 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol is Oc1cccc(Sc2ncccc2Br)c1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol?
The InChIKey is GMOLMPNRZCZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H.
What are the key properties of 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol?
3-[(3-bromo-2-pyridinyl)sulfanyl]phenol has a molecular weight of 282.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)sulfanyl]phenol is sourced from PubChem (CID 104591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).