[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol

C16H15N3O2 — CID 82356696

IUPAC[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol
SMILESCCc1ccc(-c2nc3ccc(CO)cn3c2N=O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-3-6-13(7-4-11)15-16(18-21)19-9-12(10-20)5-8-14(19)17-15/h3-9,20H,2,10H2,1H3
InChIKeyKSSYGKUSHDINBC-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.45
Rot. Bonds4

About [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol

[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 82356696) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID82356696
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol
SMILESCCc1ccc(-c2nc3ccc(CO)cn3c2N=O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-3-6-13(7-4-11)15-16(18-21)19-9-12(10-20)5-8-14(19)17-15/h3-9,20H,2,10H2,1H3
InChIKeyKSSYGKUSHDINBC-UHFFFAOYSA-N
XLogP3.45
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
6-methyl-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356422
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356943
[2-(4-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021086
6-fluoro-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356752
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82060679
[3-nitroso-2-(4-propylphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82356589
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601
6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356825
3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029815

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol (CID 82356696) is [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol is CCc1ccc(-c2nc3ccc(CO)cn3c2N=O)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is KSSYGKUSHDINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-3-6-13(7-4-11)15-16(18-21)19-9-12(10-20)5-8-14(19)17-15/h3-9,20H,2,10H2,1H3.
What are the key properties of [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol?
[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 281.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 82356696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).