[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol

C15H13N3O3 — CID 46220572

IUPAC[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(CO)n2c1
InChIInChI=1S/C15H13N3O3/c1-10-5-6-14-16-15(13(9-19)17(14)8-10)11-3-2-4-12(7-11)18(20)21/h2-8,19H,9H2,1H3
InChIKeyCRQSDRCGNKHKAV-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.71
Rot. Bonds3

About [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol

[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 46220572) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID46220572
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(CO)n2c1
InChIInChI=1S/C15H13N3O3/c1-10-5-6-14-16-15(13(9-19)17(14)8-10)11-3-2-4-12(7-11)18(20)21/h2-8,19H,9H2,1H3
InChIKeyCRQSDRCGNKHKAV-UHFFFAOYSA-N
XLogP2.71
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
[2-(3-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 144974815
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170882697
1-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83286700
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 67123064
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
3,3-dimethyl-1-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 83286701

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 46220572) is [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol is Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(CO)n2c1.
What is the InChIKey of [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is CRQSDRCGNKHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-5-6-14-16-15(13(9-19)17(14)8-10)11-3-2-4-12(7-11)18(20)21/h2-8,19H,9H2,1H3.
What are the key properties of [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 283.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 46220572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).