2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine

C18H14F7I2N3 — CID 158064623

IUPAC2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1c(I)cc(C(F)(F)F)nc1C1CC1.Nc1c(I)cc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C9H6F4IN.C9H8F3IN2/c10-7-5(14)3-6(9(11,12)13)15-8(7)4-1-2-4;10-9(11,12)6-3-5(13)7(14)8(15-6)4-1-2-4/h3-4H,1-2H2;3-4H,1-2,14H2
InChIKeyFLBLOYMITHLVDK-UHFFFAOYSA-N
MW659.12 g/mol
LogP6.89
Rot. Bonds2

About 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine

2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 158064623) has the molecular formula C18H14F7I2N3 and a molecular weight of 659.12 g/mol. Its IUPAC name is 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine
PubChem CID158064623
Molecular FormulaC18H14F7I2N3
Molecular Weight659.12 g/mol
Exact Mass658.92
IUPAC Name2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine
SMILESFc1c(I)cc(C(F)(F)F)nc1C1CC1.Nc1c(I)cc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C9H6F4IN.C9H8F3IN2/c10-7-5(14)3-6(9(11,12)13)15-8(7)4-1-2-4;10-9(11,12)6-3-5(13)7(14)8(15-6)4-1-2-4/h3-4H,1-2H2;3-4H,1-2,14H2
InChIKeyFLBLOYMITHLVDK-UHFFFAOYSA-N
XLogP6.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.12
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine (CID 158064623) is 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine is Fc1c(I)cc(C(F)(F)F)nc1C1CC1.Nc1c(I)cc(C(F)(F)F)nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is FLBLOYMITHLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4IN.C9H8F3IN2/c10-7-5(14)3-6(9(11,12)13)15-8(7)4-1-2-4;10-9(11,12)6-3-5(13)7(14)8(15-6)4-1-2-4/h3-4H,1-2H2;3-4H,1-2,14H2.
What are the key properties of 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine?
2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 659.12 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 158064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).