6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine

C14H7ClF3IN2 — CID 70983333

IUPAC6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccc(F)c(Cc2nc(I)c3ccc(Cl)cn23)c1F
InChIInChI=1S/C14H7ClF3IN2/c15-7-1-4-11-14(19)20-12(21(11)6-7)5-8-9(16)2-3-10(17)13(8)18/h1-4,6H,5H2
InChIKeyGBOUXQKMOPLPFB-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.60
Rot. Bonds2

About 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine

6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine (PubChem CID 70983333) has the molecular formula C14H7ClF3IN2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine
PubChem CID70983333
Molecular FormulaC14H7ClF3IN2
Molecular Weight422.58 g/mol
Exact Mass421.93
IUPAC Name6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccc(F)c(Cc2nc(I)c3ccc(Cl)cn23)c1F
InChIInChI=1S/C14H7ClF3IN2/c15-7-1-4-11-14(19)20-12(21(11)6-7)5-8-9(16)2-3-10(17)13(8)18/h1-4,6H,5H2
InChIKeyGBOUXQKMOPLPFB-UHFFFAOYSA-N
XLogP4.60
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine (CID 70983333) is 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine is Fc1ccc(F)c(Cc2nc(I)c3ccc(Cl)cn23)c1F.
What is the InChIKey of 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is GBOUXQKMOPLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3IN2/c15-7-1-4-11-14(19)20-12(21(11)6-7)5-8-9(16)2-3-10(17)13(8)18/h1-4,6H,5H2.
What are the key properties of 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine?
6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 422.58 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-iodo-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 70983333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).