6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine

C13H8ClFN4O3 — CID 166544249

IUPAC6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine
SMILESCn1cnc2cc(Oc3ccc([N+](=O)[O-])c(F)c3Cl)cnc21
InChIInChI=1S/C13H8ClFN4O3/c1-18-6-17-8-4-7(5-16-13(8)18)22-10-3-2-9(19(20)21)12(15)11(10)14/h2-6H,1H3
InChIKeyQNDPOBCUCXFSIK-UHFFFAOYSA-N
MW322.68 g/mol
LogP3.46
Rot. Bonds3

About 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine

6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine (PubChem CID 166544249) has the molecular formula C13H8ClFN4O3 and a molecular weight of 322.68 g/mol. Its IUPAC name is 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine
PubChem CID166544249
Molecular FormulaC13H8ClFN4O3
Molecular Weight322.68 g/mol
Exact Mass322.03
IUPAC Name6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine
SMILESCn1cnc2cc(Oc3ccc([N+](=O)[O-])c(F)c3Cl)cnc21
InChIInChI=1S/C13H8ClFN4O3/c1-18-6-17-8-4-7(5-16-13(8)18)22-10-3-2-9(19(20)21)12(15)11(10)14/h2-6H,1H3
InChIKeyQNDPOBCUCXFSIK-UHFFFAOYSA-N
XLogP3.46
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
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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Related Compounds

2-chloro-1-ethoxy-3-fluoro-4-nitrobenzene
CID 125116419
2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene
CID 166538432
6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
CID 170992588
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
3-(3,4-dinitrophenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
CID 19775930
3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline
CID 166543988
CID 164568231
CID 164568231
1-fluoro-2-methyl-4-nitrobenzene;3-methyl-4-(1-methylbenzimidazol-5-yl)oxyaniline;1-methyl-5-(2-methyl-4-nitrophenoxy)benzimidazole
CID 159588611
2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
CID 133384127
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
2-chloro-1-[2-chloro-4-nitro-3-[tris(2-fluoro-4-methylphenyl)methyl]phenoxy]-4-nitro-3-[tris(2-fluoro-4-methylphenyl)methyl]benzene
CID 21280089

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine (CID 166544249) is 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine is Cn1cnc2cc(Oc3ccc([N+](=O)[O-])c(F)c3Cl)cnc21.
What is the InChIKey of 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is QNDPOBCUCXFSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O3/c1-18-6-17-8-4-7(5-16-13(8)18)22-10-3-2-9(19(20)21)12(15)11(10)14/h2-6H,1H3.
What are the key properties of 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine?
6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 322.68 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-fluoro-4-nitrophenoxy)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 166544249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).