3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

C11H4F5IN2 — CID 133086481

IUPAC3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1I
InChIInChI=1S/C11H4F5IN2/c12-6-5(3-1-4(17)11(18)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,(H2,18,19)
InChIKeyXMBQXAFEGDMKDV-UHFFFAOYSA-N
MW386.06 g/mol
LogP3.63
Rot. Bonds1

About 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (PubChem CID 133086481) has the molecular formula C11H4F5IN2 and a molecular weight of 386.06 g/mol. Its IUPAC name is 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
PubChem CID133086481
Molecular FormulaC11H4F5IN2
Molecular Weight386.06 g/mol
Exact Mass385.93
IUPAC Name3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1I
InChIInChI=1S/C11H4F5IN2/c12-6-5(3-1-4(17)11(18)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,(H2,18,19)
InChIKeyXMBQXAFEGDMKDV-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.06
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The IUPAC name of 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (CID 133086481) is 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is Nc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1I.
What is the InChIKey of 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The InChIKey is XMBQXAFEGDMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F5IN2/c12-6-5(3-1-4(17)11(18)19-2-3)7(13)9(15)10(16)8(6)14/h1-2H,(H2,18,19).
What are the key properties of 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine has a molecular weight of 386.06 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is sourced from PubChem (CID 133086481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).