N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine

C9H12FIN2O — CID 89081966

IUPACN-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine
SMILESFCCOCCNc1ccc(I)cn1
InChIInChI=1S/C9H12FIN2O/c10-3-5-14-6-4-12-9-2-1-8(11)7-13-9/h1-2,7H,3-6H2,(H,12,13)
InChIKeyWMTSDMMDDNYRKG-UHFFFAOYSA-N
MW310.11 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine

N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine (PubChem CID 89081966) has the molecular formula C9H12FIN2O and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine
PubChem CID89081966
Molecular FormulaC9H12FIN2O
Molecular Weight310.11 g/mol
Exact Mass310.00
IUPAC NameN-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine
SMILESFCCOCCNc1ccc(I)cn1
InChIInChI=1S/C9H12FIN2O/c10-3-5-14-6-4-12-9-2-1-8(11)7-13-9/h1-2,7H,3-6H2,(H,12,13)
InChIKeyWMTSDMMDDNYRKG-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine?
The IUPAC name of N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine (CID 89081966) is N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine.
What is the SMILES notation for N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine?
The canonical SMILES for N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine is FCCOCCNc1ccc(I)cn1.
What is the InChIKey of N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine?
The InChIKey is WMTSDMMDDNYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2O/c10-3-5-14-6-4-12-9-2-1-8(11)7-13-9/h1-2,7H,3-6H2,(H,12,13).
What are the key properties of N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine?
N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine has a molecular weight of 310.11 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethoxy)ethyl]-5-iodopyridin-2-amine is sourced from PubChem (CID 89081966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).