2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

C14H10ClN3O3 — CID 79489516

IUPAC2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)c(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C14H10ClN3O3/c15-12-5-4-11(18(19)20)7-13(12)21-9-10-8-17-6-2-1-3-14(17)16-10/h1-8H,9H2
InChIKeySZEKBVVEOPYBRC-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.47
Rot. Bonds4

About 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (PubChem CID 79489516) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
PubChem CID79489516
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(Cl)c(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C14H10ClN3O3/c15-12-5-4-11(18(19)20)7-13(12)21-9-10-8-17-6-2-1-3-14(17)16-10/h1-8H,9H2
InChIKeySZEKBVVEOPYBRC-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

4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 107497897
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 4806396
5-chloro-8-(imidazo[1,2-a]pyridin-2-ylmethoxy)quinoline
CID 804228
imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7983275
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine
CID 51133889
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (CID 79489516) is 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(Cl)c(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The InChIKey is SZEKBVVEOPYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-12-5-4-11(18(19)20)7-13(12)21-9-10-8-17-6-2-1-3-14(17)16-10/h1-8H,9H2.
What are the key properties of 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
2-[(2-chloro-5-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 2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 79489516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).