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

C10H5BrCl2N2OS — CID 103819199

IUPACN-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5BrCl2N2OS/c11-8-6(2-1-3-14-8)15-10(16)5-4-7(12)17-9(5)13/h1-4H,(H,15,16)
InChIKeyBEZLDWWVCMACFL-UHFFFAOYSA-N
MW352.04 g/mol
LogP4.46
Rot. Bonds2

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

N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 103819199) has the molecular formula C10H5BrCl2N2OS and a molecular weight of 352.04 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID103819199
Molecular FormulaC10H5BrCl2N2OS
Molecular Weight352.04 g/mol
Exact Mass349.87
IUPAC NameN-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5BrCl2N2OS/c11-8-6(2-1-3-14-8)15-10(16)5-4-7(12)17-9(5)13/h1-4H,(H,15,16)
InChIKeyBEZLDWWVCMACFL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103604554
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (CID 103819199) is N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is O=C(Nc1cccnc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is BEZLDWWVCMACFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2OS/c11-8-6(2-1-3-14-8)15-10(16)5-4-7(12)17-9(5)13/h1-4H,(H,15,16).
What are the key properties of N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
N-(2-bromo-3-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-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 103819199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).