5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine

C12H14IN3 — CID 107875276

IUPAC5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine
SMILESCC(C)(C)c1ccc(-n2cc(I)cn2)nc1
InChIInChI=1S/C12H14IN3/c1-12(2,3)9-4-5-11(14-6-9)16-8-10(13)7-15-16/h4-8H,1-3H3
InChIKeyLWFSYQNVCBRJGA-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.17
Rot. Bonds1

About 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine

5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine (PubChem CID 107875276) has the molecular formula C12H14IN3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine
PubChem CID107875276
Molecular FormulaC12H14IN3
Molecular Weight327.17 g/mol
Exact Mass327.02
IUPAC Name5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine
SMILESCC(C)(C)c1ccc(-n2cc(I)cn2)nc1
InChIInChI=1S/C12H14IN3/c1-12(2,3)9-4-5-11(14-6-9)16-8-10(13)7-15-16/h4-8H,1-3H3
InChIKeyLWFSYQNVCBRJGA-UHFFFAOYSA-N
XLogP3.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
CID 130799909
5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 59416760
N-[[6-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636263
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
ethane;5-methyl-2-(4-methylpyrazol-1-yl)pyridine
CID 144804358
methyl 1-(5-tert-butyl-2-pyridinyl)-1,2,4-triazole-3-carboxylate
CID 107875389
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716271
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81255204
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine (CID 107875276) is 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine is CC(C)(C)c1ccc(-n2cc(I)cn2)nc1.
What is the InChIKey of 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine?
The InChIKey is LWFSYQNVCBRJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3/c1-12(2,3)9-4-5-11(14-6-9)16-8-10(13)7-15-16/h4-8H,1-3H3.
What are the key properties of 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine?
5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine has a molecular weight of 327.17 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine is sourced from PubChem (CID 107875276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).