2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide

C11H7Cl3N2OS — CID 102979594

IUPAC2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H7Cl3N2OS/c1-5-2-7(9(13)15-4-5)16-11(17)6-3-8(12)18-10(6)14/h2-4H,1H3,(H,16,17)
InChIKeyNYIUJLJZJVSTCO-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.66
Rot. Bonds2

About 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide

2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 102979594) has the molecular formula C11H7Cl3N2OS and a molecular weight of 321.62 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID102979594
Molecular FormulaC11H7Cl3N2OS
Molecular Weight321.62 g/mol
Exact Mass319.93
IUPAC Name2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H7Cl3N2OS/c1-5-2-7(9(13)15-4-5)16-11(17)6-3-8(12)18-10(6)14/h2-4H,1H3,(H,16,17)
InChIKeyNYIUJLJZJVSTCO-UHFFFAOYSA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.66
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-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426
2-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-5-methylpyridin-3-amine
CID 114082835
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
CID 102979859
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
CID 107963956
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide (CID 102979594) is 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide is Cc1cnc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is NYIUJLJZJVSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS/c1-5-2-7(9(13)15-4-5)16-11(17)6-3-8(12)18-10(6)14/h2-4H,1H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 321.62 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 102979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).