6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

C14H10ClN3O3 — CID 4806396

IUPAC6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C14H10ClN3O3/c15-10-1-6-14-16-11(8-17(14)7-10)9-21-13-4-2-12(3-5-13)18(19)20/h1-8H,9H2
InChIKeyAZQDTYORHRPFMY-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.47
Rot. Bonds4

About 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (PubChem CID 4806396) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
PubChem CID4806396
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C14H10ClN3O3/c15-10-1-6-14-16-11(8-17(14)7-10)9-21-13-4-2-12(3-5-13)18(19)20/h1-8H,9H2
InChIKeyAZQDTYORHRPFMY-UHFFFAOYSA-N
XLogP3.47
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
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

4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
CID 26218203
1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106486188
N'-(4-chlorobenzoyl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 42093678
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 47290059
2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
CID 154663357
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804832
2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
CID 134017959
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
CID 62887008
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (CID 4806396) is 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The InChIKey is AZQDTYORHRPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-10-1-6-14-16-11(8-17(14)7-10)9-21-13-4-2-12(3-5-13)18(19)20/h1-8H,9H2.
What are the key properties of 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine has a molecular weight of 303.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 4806396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).