N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide

C12H10ClFN2OS — CID 61295299

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClFN2OS/c1-7(9-2-3-10(13)18-9)16-12(17)8-4-5-15-11(14)6-8/h2-7H,1H3,(H,16,17)
InChIKeyZERHXVDEJQKNLZ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.43
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61295299) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide
PubChem CID61295299
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClFN2OS/c1-7(9-2-3-10(13)18-9)16-12(17)8-4-5-15-11(14)6-8/h2-7H,1H3,(H,16,17)
InChIKeyZERHXVDEJQKNLZ-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide (CID 61295299) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is ZERHXVDEJQKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7(9-2-3-10(13)18-9)16-12(17)8-4-5-15-11(14)6-8/h2-7H,1H3,(H,16,17).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61295299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).