2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine

C12H17FIN — CID 155296746

IUPAC2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
SMILESCC(C)(C)c1ncc(C(C)(C)I)cc1F
InChIInChI=1S/C12H17FIN/c1-11(2,3)10-9(13)6-8(7-15-10)12(4,5)14/h6-7H,1-5H3
InChIKeyUJTRLJHSWRFBDV-UHFFFAOYSA-N
MW321.18 g/mol
LogP4.19
Rot. Bonds1

About 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine

2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine (PubChem CID 155296746) has the molecular formula C12H17FIN and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
PubChem CID155296746
Molecular FormulaC12H17FIN
Molecular Weight321.18 g/mol
Exact Mass321.04
IUPAC Name2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
SMILESCC(C)(C)c1ncc(C(C)(C)I)cc1F
InChIInChI=1S/C12H17FIN/c1-11(2,3)10-9(13)6-8(7-15-10)12(4,5)14/h6-7H,1-5H3
InChIKeyUJTRLJHSWRFBDV-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118559736
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine
CID 153310708
(2,5-ditert-butyl-3-pyridinyl)methanol
CID 153429822
2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
CID 58305903
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426
5-tert-butyl-2-(triiodomethyl)pyrimidine
CID 139452583
5-tert-butyl-2-[5-(5-tert-butyl-3-fluoro-2-pyridinyl)-2,5-dimethylhexan-2-yl]pyridine-4-carbonitrile
CID 170000839
6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155136336
2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine
CID 59589116
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
4-tert-butyl-2-fluoro-5-methylpyrimidine
CID 146377566
2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal
CID 164562723

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine?
The IUPAC name of 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine (CID 155296746) is 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine?
The canonical SMILES for 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine is CC(C)(C)c1ncc(C(C)(C)I)cc1F.
What is the InChIKey of 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine?
The InChIKey is UJTRLJHSWRFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FIN/c1-11(2,3)10-9(13)6-8(7-15-10)12(4,5)14/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine?
2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine has a molecular weight of 321.18 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine is sourced from PubChem (CID 155296746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).