N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide

C12H10ClFN2OS — CID 113236231

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(F)nc1
InChIInChI=1S/C12H10ClFN2OS/c13-10-3-2-9(18-10)5-6-15-12(17)8-1-4-11(14)16-7-8/h1-4,7H,5-6H2,(H,15,17)
InChIKeyZTGZKSCYEQQBCW-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide (PubChem CID 113236231) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
PubChem CID113236231
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(F)nc1
InChIInChI=1S/C12H10ClFN2OS/c13-10-3-2-9(18-10)5-6-15-12(17)8-1-4-11(14)16-7-8/h1-4,7H,5-6H2,(H,15,17)
InChIKeyZTGZKSCYEQQBCW-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.91
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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoro-N-prop-2-enylpyridine-3-carboxamide
CID 63973559
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 51087437
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 114139758
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide (CID 113236231) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide is O=C(NCCc1ccc(Cl)s1)c1ccc(F)nc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is ZTGZKSCYEQQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c13-10-3-2-9(18-10)5-6-15-12(17)8-1-4-11(14)16-7-8/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 113236231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).