6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

C14H9ClFN3O — CID 82356825

IUPAC6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3ccc(Cl)cn3c2N=O)ccc1F
InChIInChI=1S/C14H9ClFN3O/c1-8-6-9(2-4-11(8)16)13-14(18-20)19-7-10(15)3-5-12(19)17-13/h2-7H,1H3
InChIKeyFDTDOPSHIOFTBB-UHFFFAOYSA-N
MW289.70 g/mol
LogP4.50
Rot. Bonds2

About 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356825) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356825
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3ccc(Cl)cn3c2N=O)ccc1F
InChIInChI=1S/C14H9ClFN3O/c1-8-6-9(2-4-11(8)16)13-14(18-20)19-7-10(15)3-5-12(19)17-13/h2-7H,1H3
InChIKeyFDTDOPSHIOFTBB-UHFFFAOYSA-N
XLogP4.50
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 95967161
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
2-(4-bromophenyl)-6-chloro-3-methylimidazo[1,2-a]pyridine
CID 78910128
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356743
3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195760
6-fluoro-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356752
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356825) is 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is Cc1cc(-c2nc3ccc(Cl)cn3c2N=O)ccc1F.
What is the InChIKey of 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is FDTDOPSHIOFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-6-9(2-4-11(8)16)13-14(18-20)19-7-10(15)3-5-12(19)17-13/h2-7H,1H3.
What are the key properties of 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 289.70 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).