7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine

C15H12FN3O3 — CID 166028890

IUPAC7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2c(C)cnc2c1
InChIInChI=1S/C15H12FN3O3/c1-9-8-17-14-7-11(5-6-18(9)14)22-15-10(2)12(16)3-4-13(15)19(20)21/h3-8H,1-2H3
InChIKeyAVHSHMNJWWOHCI-UHFFFAOYSA-N
MW301.28 g/mol
LogP3.79
Rot. Bonds3

About 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine

7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine (PubChem CID 166028890) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine
PubChem CID166028890
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2c(C)cnc2c1
InChIInChI=1S/C15H12FN3O3/c1-9-8-17-14-7-11(5-6-18(9)14)22-15-10(2)12(16)3-4-13(15)19(20)21/h3-8H,1-2H3
InChIKeyAVHSHMNJWWOHCI-UHFFFAOYSA-N
XLogP3.79
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 53.79
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

7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 166029242
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
4-(2,3-difluoro-6-nitrophenoxy)phenol
CID 55086265
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
CID 167552958
CID 167552958
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
6-fluoro-2-methyl-3-nitrobenzenethiol
CID 130849844
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
CID 170907890
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine (CID 166028890) is 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine is Cc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2c(C)cnc2c1.
What is the InChIKey of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine?
The InChIKey is AVHSHMNJWWOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-9-8-17-14-7-11(5-6-18(9)14)22-15-10(2)12(16)3-4-13(15)19(20)21/h3-8H,1-2H3.
What are the key properties of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine?
7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine has a molecular weight of 301.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166028890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).