1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol

C12H16N4O3 — CID 62334856

IUPAC1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-9(17)7-14(2)8-10-12(16(18)19)15-6-4-3-5-11(15)13-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyGFMHYVGZRUVCPQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.06
Rot. Bonds5

About 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol

1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol (PubChem CID 62334856) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
PubChem CID62334856
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-9(17)7-14(2)8-10-12(16(18)19)15-6-4-3-5-11(15)13-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyGFMHYVGZRUVCPQ-UHFFFAOYSA-N
XLogP1.06
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol (CID 62334856) is 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol is CC(O)CN(C)Cc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol?
The InChIKey is GFMHYVGZRUVCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(17)7-14(2)8-10-12(16(18)19)15-6-4-3-5-11(15)13-10/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol?
1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol has a molecular weight of 264.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).