2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol

C9H12Cl2N2O — CID 170973367

IUPAC2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=CN2CC(O)(C(Cl)Cl)NC2C=C1
InChIInChI=1S/C9H12Cl2N2O/c1-6-2-3-7-12-9(14,8(10)11)5-13(7)4-6/h2-4,7-8,12,14H,5H2,1H3
InChIKeyNQQQEQWJEPJYQJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.18
Rot. Bonds1

About 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol

2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol (PubChem CID 170973367) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol.

Molecular Properties

Compound Name2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol
PubChem CID170973367
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=CN2CC(O)(C(Cl)Cl)NC2C=C1
InChIInChI=1S/C9H12Cl2N2O/c1-6-2-3-7-12-9(14,8(10)11)5-13(7)4-6/h2-4,7-8,12,14H,5H2,1H3
InChIKeyNQQQEQWJEPJYQJ-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol?
The IUPAC name of 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol (CID 170973367) is 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol.
What is the SMILES notation for 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol?
The canonical SMILES for 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol is CC1=CN2CC(O)(C(Cl)Cl)NC2C=C1.
What is the InChIKey of 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol?
The InChIKey is NQQQEQWJEPJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-6-2-3-7-12-9(14,8(10)11)5-13(7)4-6/h2-4,7-8,12,14H,5H2,1H3.
What are the key properties of 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol?
2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol has a molecular weight of 235.11 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-6-methyl-3,8a-dihydro-1H-imidazo[1,2-a]pyridin-2-ol is sourced from PubChem (CID 170973367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).