4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine

C9H8F3IN2 — CID 169181928

IUPAC4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C2CC2)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C9H8F3IN2/c10-9(11,12)7-5(4-1-2-4)3-6(14)15-8(7)13/h3-4H,1-2H2,(H2,14,15)
InChIKeyCQIGBIHMMLPFHC-UHFFFAOYSA-N
MW328.08 g/mol
LogP3.16
Rot. Bonds1

About 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine

4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 169181928) has the molecular formula C9H8F3IN2 and a molecular weight of 328.08 g/mol. Its IUPAC name is 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine
PubChem CID169181928
Molecular FormulaC9H8F3IN2
Molecular Weight328.08 g/mol
Exact Mass327.97
IUPAC Name4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C2CC2)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C9H8F3IN2/c10-9(11,12)7-5(4-1-2-4)3-6(14)15-8(7)13/h3-4H,1-2H2,(H2,14,15)
InChIKeyCQIGBIHMMLPFHC-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine (CID 169181928) is 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine is Nc1cc(C2CC2)c(C(F)(F)F)c(I)n1.
What is the InChIKey of 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CQIGBIHMMLPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IN2/c10-9(11,12)7-5(4-1-2-4)3-6(14)15-8(7)13/h3-4H,1-2H2,(H2,14,15).
What are the key properties of 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine?
4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 328.08 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-iodo-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 169181928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).