2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one

C8H7ClN2O — CID 135394128

IUPAC2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(CCl)[nH]c2c1
InChIInChI=1S/C8H7ClN2O/c9-4-6-5-11-2-1-7(12)3-8(11)10-6/h1-3,5,10H,4H2
InChIKeyVVEQYVBWCXHESR-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.37
Rot. Bonds1

About 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one

2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one (PubChem CID 135394128) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one.

Molecular Properties

Compound Name2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one
PubChem CID135394128
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(CCl)[nH]c2c1
InChIInChI=1S/C8H7ClN2O/c9-4-6-5-11-2-1-7(12)3-8(11)10-6/h1-3,5,10H,4H2
InChIKeyVVEQYVBWCXHESR-UHFFFAOYSA-N
XLogP1.37
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The IUPAC name of 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one (CID 135394128) is 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one.
What is the SMILES notation for 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The canonical SMILES for 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one is O=c1ccn2cc(CCl)[nH]c2c1.
What is the InChIKey of 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The InChIKey is VVEQYVBWCXHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-4-6-5-11-2-1-7(12)3-8(11)10-6/h1-3,5,10H,4H2.
What are the key properties of 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one?
2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one has a molecular weight of 182.61 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one is sourced from PubChem (CID 135394128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).