6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine

C10H7ClN6O2 — CID 47290059

IUPAC6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ncn(Cc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C10H7ClN6O2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-6-12-10(14-16)17(18)19/h1-4,6H,5H2
InChIKeyONGKEYKKFAGDRH-UHFFFAOYSA-N
MW278.66 g/mol
LogP1.54
Rot. Bonds3

About 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine

6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 47290059) has the molecular formula C10H7ClN6O2 and a molecular weight of 278.66 g/mol. Its IUPAC name is 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID47290059
Molecular FormulaC10H7ClN6O2
Molecular Weight278.66 g/mol
Exact Mass278.03
IUPAC Name6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ncn(Cc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C10H7ClN6O2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-6-12-10(14-16)17(18)19/h1-4,6H,5H2
InChIKeyONGKEYKKFAGDRH-UHFFFAOYSA-N
XLogP1.54
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine (CID 47290059) is 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine is O=[N+]([O-])c1ncn(Cc2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is ONGKEYKKFAGDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-6-12-10(14-16)17(18)19/h1-4,6H,5H2.
What are the key properties of 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 278.66 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 47290059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).