3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine

C8H4F3IN2 — CID 53412686

IUPAC3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1nccc2[nH]cc(I)c12
InChIInChI=1S/C8H4F3IN2/c9-8(10,11)7-6-4(12)3-14-5(6)1-2-13-7/h1-3,14H
InChIKeyCFAWANXRHFDMSA-UHFFFAOYSA-N
MW312.03 g/mol
LogP3.19
Rot. Bonds

About 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine

3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53412686) has the molecular formula C8H4F3IN2 and a molecular weight of 312.03 g/mol. Its IUPAC name is 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID53412686
Molecular FormulaC8H4F3IN2
Molecular Weight312.03 g/mol
Exact Mass311.94
IUPAC Name3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1nccc2[nH]cc(I)c12
InChIInChI=1S/C8H4F3IN2/c9-8(10,11)7-6-4(12)3-14-5(6)1-2-13-7/h1-3,14H
InChIKeyCFAWANXRHFDMSA-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.03
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine (CID 53412686) is 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine is FC(F)(F)c1nccc2[nH]cc(I)c12.
What is the InChIKey of 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is CFAWANXRHFDMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2/c9-8(10,11)7-6-4(12)3-14-5(6)1-2-13-7/h1-3,14H.
What are the key properties of 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 312.03 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53412686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).