[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol

C13H16N4O3 — CID 62013767

IUPAC[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1c(CN2CCCC2CO)nc2ccccn12
InChIInChI=1S/C13H16N4O3/c18-9-10-4-3-6-15(10)8-11-13(17(19)20)16-7-2-1-5-12(16)14-11/h1-2,5,7,10,18H,3-4,6,8-9H2
InChIKeyJAEXWTDEZKZRKK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.20
Rot. Bonds4

About [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol

[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62013767) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62013767
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1c(CN2CCCC2CO)nc2ccccn12
InChIInChI=1S/C13H16N4O3/c18-9-10-4-3-6-15(10)8-11-13(17(19)20)16-7-2-1-5-12(16)14-11/h1-2,5,7,10,18H,3-4,6,8-9H2
InChIKeyJAEXWTDEZKZRKK-UHFFFAOYSA-N
XLogP1.20
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.20
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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Related Compounds

1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442018
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
[1-[(2-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637573
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78942123
1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
CID 79542495
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-nitrobenzoic acid
CID 104825911
1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
CID 62334856
3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 43466370
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 43352455
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997

Frequently Asked Questions

What is the IUPAC name of [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 62013767) is [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol is O=[N+]([O-])c1c(CN2CCCC2CO)nc2ccccn12.
What is the InChIKey of [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JAEXWTDEZKZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-9-10-4-3-6-15(10)8-11-13(17(19)20)16-7-2-1-5-12(16)14-11/h1-2,5,7,10,18H,3-4,6,8-9H2.
What are the key properties of [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 276.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).