2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride

C11H10BrClN2S — CID 163333008

IUPAC2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
SMILESCc1ccnc(Sc2ncccc2Br)c1.Cl
InChIInChI=1S/C11H9BrN2S.ClH/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11;/h2-7H,1H3;1H
InChIKeyWAACNBDZGJDWQK-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.12
Rot. Bonds2

About 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride

2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride (PubChem CID 163333008) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
PubChem CID163333008
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
SMILESCc1ccnc(Sc2ncccc2Br)c1.Cl
InChIInChI=1S/C11H9BrN2S.ClH/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11;/h2-7H,1H3;1H
InChIKeyWAACNBDZGJDWQK-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride (CID 163333008) is 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride is Cc1ccnc(Sc2ncccc2Br)c1.Cl.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride?
The InChIKey is WAACNBDZGJDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S.ClH/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11;/h2-7H,1H3;1H.
What are the key properties of 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride?
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride has a molecular weight of 317.64 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride is sourced from PubChem (CID 163333008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).