4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide

C10H5ClFIN2OS — CID 71278112

IUPAC4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1cc(Cl)c(I)s1
InChIInChI=1S/C10H5ClFIN2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16)
InChIKeyZZMDUUJNWMOODV-UHFFFAOYSA-N
MW382.59 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide

4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide (PubChem CID 71278112) has the molecular formula C10H5ClFIN2OS and a molecular weight of 382.59 g/mol. Its IUPAC name is 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide
PubChem CID71278112
Molecular FormulaC10H5ClFIN2OS
Molecular Weight382.59 g/mol
Exact Mass381.88
IUPAC Name4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1cc(Cl)c(I)s1
InChIInChI=1S/C10H5ClFIN2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16)
InChIKeyZZMDUUJNWMOODV-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(6-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 113462599
N-(6-fluoro-2-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 104820566
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
5-[(6S)-8-amino-4-oxo-4λ4-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-fluoro-2-pyridinyl)thiophene-2-carboxamide;ethane
CID 144539010
N-(6-fluoro-2-pyridinyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide
CID 99714614
5-(3-amino-2-methyl-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 130395002
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
CID 113462597
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
4-chloro-N-(6-fluoro-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 104820532
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide (CID 71278112) is 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide is O=C(Nc1cccc(F)n1)c1cc(Cl)c(I)s1.
What is the InChIKey of 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide?
The InChIKey is ZZMDUUJNWMOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFIN2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16).
What are the key properties of 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide?
4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide has a molecular weight of 382.59 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-fluoro-2-pyridinyl)-5-iodothiophene-2-carboxamide is sourced from PubChem (CID 71278112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).