2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine

C12H15IN2 — CID 10543240

IUPAC2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(I)c(C(C)(C)C)nc2c1
InChIInChI=1S/C12H15IN2/c1-8-5-6-15-9(7-8)14-10(11(15)13)12(2,3)4/h5-7H,1-4H3
InChIKeyBSDXHYSYPUOZIT-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.54
Rot. Bonds

About 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine

2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine (PubChem CID 10543240) has the molecular formula C12H15IN2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
PubChem CID10543240
Molecular FormulaC12H15IN2
Molecular Weight314.17 g/mol
Exact Mass314.03
IUPAC Name2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(I)c(C(C)(C)C)nc2c1
InChIInChI=1S/C12H15IN2/c1-8-5-6-15-9(7-8)14-10(11(15)13)12(2,3)4/h5-7H,1-4H3
InChIKeyBSDXHYSYPUOZIT-UHFFFAOYSA-N
XLogP3.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82029708
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 39146035
2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030227
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029631
7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405083
2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine
CID 59176726
4,8-dimethylpyrido[1,2-a]pyrimidin-2-one
CID 599966
3-chloro-2-(4-iodophenyl)-7-methylimidazo[1,2-a]pyridine
CID 148822779
7-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 82529962
8-methyl-2-(4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10586774
7-methyl-3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356376
1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine (CID 10543240) is 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine is Cc1ccn2c(I)c(C(C)(C)C)nc2c1.
What is the InChIKey of 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine?
The InChIKey is BSDXHYSYPUOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2/c1-8-5-6-15-9(7-8)14-10(11(15)13)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine?
2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine has a molecular weight of 314.17 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 10543240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).