6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine

C11H7ClN4O2S — CID 63617259

IUPAC6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2csc([N+](=O)[O-])c2)nc2ccc(Cl)cn12
InChIInChI=1S/C11H7ClN4O2S/c12-7-1-2-8-14-10(11(13)15(8)4-7)6-3-9(16(17)18)19-5-6/h1-5H,13H2
InChIKeyRNFBQMPFTKESIR-UHFFFAOYSA-N
MW294.72 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine

6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 63617259) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID63617259
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2csc([N+](=O)[O-])c2)nc2ccc(Cl)cn12
InChIInChI=1S/C11H7ClN4O2S/c12-7-1-2-8-14-10(11(13)15(8)4-7)6-3-9(16(17)18)19-5-6/h1-5H,13H2
InChIKeyRNFBQMPFTKESIR-UHFFFAOYSA-N
XLogP3.21
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 53.21
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 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine (CID 63617259) is 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine is Nc1c(-c2csc([N+](=O)[O-])c2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is RNFBQMPFTKESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c12-7-1-2-8-14-10(11(13)15(8)4-7)6-3-9(16(17)18)19-5-6/h1-5H,13H2.
What are the key properties of 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 294.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-nitrothiophen-3-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 63617259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).