4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine

C6H4F3IN2 — CID 162344848

IUPAC4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine
SMILES[H]/N=C1/C=C(I)C(C(F)(F)F)C=N1
InChIInChI=1S/C6H4F3IN2/c7-6(8,9)3-2-12-5(11)1-4(3)10/h1-3,11H/b11-5-
InChIKeyKVEHYNFEZXFFEU-WZUFQYTHSA-N
MW288.01 g/mol
LogP2.55
Rot. Bonds

About 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine

4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine (PubChem CID 162344848) has the molecular formula C6H4F3IN2 and a molecular weight of 288.01 g/mol. Its IUPAC name is 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine.

Molecular Properties

Compound Name4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine
PubChem CID162344848
Molecular FormulaC6H4F3IN2
Molecular Weight288.01 g/mol
Exact Mass287.94
IUPAC Name4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine
SMILES[H]/N=C1/C=C(I)C(C(F)(F)F)C=N1
InChIInChI=1S/C6H4F3IN2/c7-6(8,9)3-2-12-5(11)1-4(3)10/h1-3,11H/b11-5-
InChIKeyKVEHYNFEZXFFEU-WZUFQYTHSA-N
XLogP2.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.01
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine?
The IUPAC name of 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine (CID 162344848) is 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine.
What is the SMILES notation for 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine?
The canonical SMILES for 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine is [H]/N=C1/C=C(I)C(C(F)(F)F)C=N1.
What is the InChIKey of 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine?
The InChIKey is KVEHYNFEZXFFEU-WZUFQYTHSA-N. The full InChI is InChI=1S/C6H4F3IN2/c7-6(8,9)3-2-12-5(11)1-4(3)10/h1-3,11H/b11-5-.
What are the key properties of 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine?
4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine has a molecular weight of 288.01 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(trifluoromethyl)-3H-pyridin-6-imine is sourced from PubChem (CID 162344848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).