7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine

C14H9BrFNS — CID 59715692

IUPAC7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine
SMILESFc1cc(Br)ccc1Cc1nccc2ccsc12
InChIInChI=1S/C14H9BrFNS/c15-11-2-1-10(12(16)8-11)7-13-14-9(3-5-17-13)4-6-18-14/h1-6,8H,7H2
InChIKeyQMTXJMCPPLPFQD-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.79
Rot. Bonds2

About 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine

7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine (PubChem CID 59715692) has the molecular formula C14H9BrFNS and a molecular weight of 322.20 g/mol. Its IUPAC name is 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine
PubChem CID59715692
Molecular FormulaC14H9BrFNS
Molecular Weight322.20 g/mol
Exact Mass320.96
IUPAC Name7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine
SMILESFc1cc(Br)ccc1Cc1nccc2ccsc12
InChIInChI=1S/C14H9BrFNS/c15-11-2-1-10(12(16)8-11)7-13-14-9(3-5-17-13)4-6-18-14/h1-6,8H,7H2
InChIKeyQMTXJMCPPLPFQD-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine?
The IUPAC name of 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine (CID 59715692) is 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine?
The canonical SMILES for 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine is Fc1cc(Br)ccc1Cc1nccc2ccsc12.
What is the InChIKey of 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine?
The InChIKey is QMTXJMCPPLPFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNS/c15-11-2-1-10(12(16)8-11)7-13-14-9(3-5-17-13)4-6-18-14/h1-6,8H,7H2.
What are the key properties of 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine?
7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromo-2-fluorophenyl)methyl]thieno[2,3-c]pyridine is sourced from PubChem (CID 59715692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).