N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine

C13H15FN2S — CID 61397715

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine
SMILESCc1cc(C(C)Nc2cccc(F)n2)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-8-7-11(10(3)17-8)9(2)15-13-6-4-5-12(14)16-13/h4-7,9H,1-3H3,(H,15,16)
InChIKeyAJACZWNPPSRPCO-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 61397715) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine
PubChem CID61397715
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine
SMILESCc1cc(C(C)Nc2cccc(F)n2)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-8-7-11(10(3)17-8)9(2)15-13-6-4-5-12(14)16-13/h4-7,9H,1-3H3,(H,15,16)
InChIKeyAJACZWNPPSRPCO-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.07
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-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine (CID 61397715) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine is Cc1cc(C(C)Nc2cccc(F)n2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is AJACZWNPPSRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-7-11(10(3)17-8)9(2)15-13-6-4-5-12(14)16-13/h4-7,9H,1-3H3,(H,15,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 250.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 61397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).