N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine

C8H8F3IN2 — CID 69166924

IUPACN-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
SMILESCCNc1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C8H8F3IN2/c1-2-13-6-3-7(8(9,10)11)14-4-5(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyQBQRVEWGVZSPTB-UHFFFAOYSA-N
MW316.06 g/mol
LogP3.14
Rot. Bonds2

About N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine

N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 69166924) has the molecular formula C8H8F3IN2 and a molecular weight of 316.06 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
PubChem CID69166924
Molecular FormulaC8H8F3IN2
Molecular Weight316.06 g/mol
Exact Mass315.97
IUPAC NameN-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
SMILESCCNc1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C8H8F3IN2/c1-2-13-6-3-7(8(9,10)11)14-4-5(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyQBQRVEWGVZSPTB-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine (CID 69166924) is N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine is CCNc1cc(C(F)(F)F)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is QBQRVEWGVZSPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2/c1-2-13-6-3-7(8(9,10)11)14-4-5(6)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine?
N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 316.06 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 69166924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).