[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol

C10H10BrN3OS — CID 66150914

IUPAC[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1ncccc1Br
InChIInChI=1S/C10H10BrN3OS/c1-14-7(6-15)5-13-10(14)16-9-8(11)3-2-4-12-9/h2-5,15H,6H2,1H3
InChIKeyHQWACKBTDWUORA-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.22
Rot. Bonds3

About [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 66150914) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID66150914
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1ncccc1Br
InChIInChI=1S/C10H10BrN3OS/c1-14-7(6-15)5-13-10(14)16-9-8(11)3-2-4-12-9/h2-5,15H,6H2,1H3
InChIKeyHQWACKBTDWUORA-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol (CID 66150914) is [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1Sc1ncccc1Br.
What is the InChIKey of [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is HQWACKBTDWUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-7(6-15)5-13-10(14)16-9-8(11)3-2-4-12-9/h2-5,15H,6H2,1H3.
What are the key properties of [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 300.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).