N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide

C10H5BrCl2N2OS — CID 102674220

IUPACN-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5BrCl2N2OS/c11-5-1-2-14-8(3-5)15-10(16)6-4-7(12)17-9(6)13/h1-4H,(H,14,15,16)
InChIKeyVTVFZRGGHSTJRE-UHFFFAOYSA-N
MW352.04 g/mol
LogP4.46
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide

N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 102674220) has the molecular formula C10H5BrCl2N2OS and a molecular weight of 352.04 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID102674220
Molecular FormulaC10H5BrCl2N2OS
Molecular Weight352.04 g/mol
Exact Mass349.87
IUPAC NameN-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5BrCl2N2OS/c11-5-1-2-14-8(3-5)15-10(16)6-4-7(12)17-9(6)13/h1-4H,(H,14,15,16)
InChIKeyVTVFZRGGHSTJRE-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.04
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 102674177
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 102674338

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (CID 102674220) is N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is O=C(Nc1cc(Br)ccn1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is VTVFZRGGHSTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2OS/c11-5-1-2-14-8(3-5)15-10(16)6-4-7(12)17-9(6)13/h1-4H,(H,14,15,16).
What are the key properties of N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 352.04 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 102674220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).