6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

C14H10IN3O2 — CID 67546543

IUPAC6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cn12
InChIInChI=1S/C14H10IN3O2/c1-9-14(10-2-5-12(6-3-10)18(19)20)16-13-7-4-11(15)8-17(9)13/h2-8H,1H3
InChIKeySXDNDHXCFUZZJL-UHFFFAOYSA-N
MW379.16 g/mol
LogP3.82
Rot. Bonds2

About 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 67546543) has the molecular formula C14H10IN3O2 and a molecular weight of 379.16 g/mol. Its IUPAC name is 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID67546543
Molecular FormulaC14H10IN3O2
Molecular Weight379.16 g/mol
Exact Mass378.98
IUPAC Name6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cn12
InChIInChI=1S/C14H10IN3O2/c1-9-14(10-2-5-12(6-3-10)18(19)20)16-13-7-4-11(15)8-17(9)13/h2-8H,1H3
InChIKeySXDNDHXCFUZZJL-UHFFFAOYSA-N
XLogP3.82
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (CID 67546543) is 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cn12.
What is the InChIKey of 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is SXDNDHXCFUZZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O2/c1-9-14(10-2-5-12(6-3-10)18(19)20)16-13-7-4-11(15)8-17(9)13/h2-8H,1H3.
What are the key properties of 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 379.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67546543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).