2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine

C10H11F3IN — CID 121384489

IUPAC2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)c(I)cn1
InChIInChI=1S/C10H11F3IN/c1-9(2,3)8-4-6(10(11,12)13)7(14)5-15-8/h4-5H,1-3H3
InChIKeyJQRCXCMECZZFNA-UHFFFAOYSA-N
MW329.10 g/mol
LogP4.00
Rot. Bonds

About 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine

2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine (PubChem CID 121384489) has the molecular formula C10H11F3IN and a molecular weight of 329.10 g/mol. Its IUPAC name is 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
PubChem CID121384489
Molecular FormulaC10H11F3IN
Molecular Weight329.10 g/mol
Exact Mass328.99
IUPAC Name2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)c(I)cn1
InChIInChI=1S/C10H11F3IN/c1-9(2,3)8-4-6(10(11,12)13)7(14)5-15-8/h4-5H,1-3H3
InChIKeyJQRCXCMECZZFNA-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130849064
6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 121391254
tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane
CID 123208436
2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine
CID 121384457
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
N-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
CID 69166924
5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
CID 121228606
CID 174801189
CID 174801189
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 130822715
2-tert-butyl-5-fluoropyridin-4-amine
CID 155709241
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine (CID 121384489) is 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)c(I)cn1.
What is the InChIKey of 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine?
The InChIKey is JQRCXCMECZZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3IN/c1-9(2,3)8-4-6(10(11,12)13)7(14)5-15-8/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine?
2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine has a molecular weight of 329.10 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 121384489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).