[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

C14H12N4O2S — CID 63807650

IUPAC[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Sc2ccccc2[N+](=O)[O-])nc2ccccn12
InChIInChI=1S/C14H12N4O2S/c15-9-11-14(16-13-7-3-4-8-17(11)13)21-12-6-2-1-5-10(12)18(19)20/h1-8H,9,15H2
InChIKeyYWWFSLFGRGLCCK-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.85
Rot. Bonds4

About [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 63807650) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID63807650
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Sc2ccccc2[N+](=O)[O-])nc2ccccn12
InChIInChI=1S/C14H12N4O2S/c15-9-11-14(16-13-7-3-4-8-17(11)13)21-12-6-2-1-5-10(12)18(19)20/h1-8H,9,15H2
InChIKeyYWWFSLFGRGLCCK-UHFFFAOYSA-N
XLogP2.85
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.85
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

[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63806284
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191
[2-(2-bromophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813270
[2-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813667
[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809922
1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818822
[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809693
[1,3-dimethyl-5-(2-nitrophenyl)sulfanylpyrazol-4-yl]methanamine
CID 63809067
methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
CID 63808201
[4-(2-nitrophenyl)sulfanylphenyl]methanamine
CID 63807472
(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82504617
[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63812601

Frequently Asked Questions

What is the IUPAC name of [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (CID 63807650) is [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(Sc2ccccc2[N+](=O)[O-])nc2ccccn12.
What is the InChIKey of [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is YWWFSLFGRGLCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-9-11-14(16-13-7-3-4-8-17(11)13)21-12-6-2-1-5-10(12)18(19)20/h1-8H,9,15H2.
What are the key properties of [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 300.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 63807650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).