3-bromo-5-(3-methylthiophen-2-yl)pyridine

C10H8BrNS — CID 11311338

IUPAC3-bromo-5-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cncc(Br)c1
InChIInChI=1S/C10H8BrNS/c1-7-2-3-13-10(7)8-4-9(11)6-12-5-8/h2-6H,1H3
InChIKeyAPGMFUDNZZFAPS-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds1

About 3-bromo-5-(3-methylthiophen-2-yl)pyridine

3-bromo-5-(3-methylthiophen-2-yl)pyridine (PubChem CID 11311338) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 3-bromo-5-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-methylthiophen-2-yl)pyridine
PubChem CID11311338
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name3-bromo-5-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cncc(Br)c1
InChIInChI=1S/C10H8BrNS/c1-7-2-3-13-10(7)8-4-9(11)6-12-5-8/h2-6H,1H3
InChIKeyAPGMFUDNZZFAPS-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(3-methylthiophen-2-yl)pyridine (CID 11311338) is 3-bromo-5-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(3-methylthiophen-2-yl)pyridine is Cc1ccsc1-c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-methylthiophen-2-yl)pyridine?
The InChIKey is APGMFUDNZZFAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-7-2-3-13-10(7)8-4-9(11)6-12-5-8/h2-6H,1H3.
What are the key properties of 3-bromo-5-(3-methylthiophen-2-yl)pyridine?
3-bromo-5-(3-methylthiophen-2-yl)pyridine has a molecular weight of 254.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 11311338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).