N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide

C14H8BrFN2OS — CID 58622649

IUPACN-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2c(F)cncc2s1
InChIInChI=1S/C14H8BrFN2OS/c15-8-1-3-9(4-2-8)18-14(19)12-5-10-11(16)6-17-7-13(10)20-12/h1-7H,(H,18,19)
InChIKeyYEAXATKBRLEVGI-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.45
Rot. Bonds2

About N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide

N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58622649) has the molecular formula C14H8BrFN2OS and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
PubChem CID58622649
Molecular FormulaC14H8BrFN2OS
Molecular Weight351.20 g/mol
Exact Mass349.95
IUPAC NameN-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2c(F)cncc2s1
InChIInChI=1S/C14H8BrFN2OS/c15-8-1-3-9(4-2-8)18-14(19)12-5-10-11(16)6-17-7-13(10)20-12/h1-7H,(H,18,19)
InChIKeyYEAXATKBRLEVGI-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide (CID 58622649) is N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc2c(F)cncc2s1.
What is the InChIKey of N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YEAXATKBRLEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2OS/c15-8-1-3-9(4-2-8)18-14(19)12-5-10-11(16)6-17-7-13(10)20-12/h1-7H,(H,18,19).
What are the key properties of N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58622649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).