[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol

C16H15N3O2 — CID 82356628

IUPAC[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1ccc(-c2nc3cc(CO)ccn3c2N=O)cc1C
InChIInChI=1S/C16H15N3O2/c1-10-3-4-13(7-11(10)2)15-16(18-21)19-6-5-12(9-20)8-14(19)17-15/h3-8,20H,9H2,1-2H3
InChIKeyIZWXKLVRWVRYIZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.51
Rot. Bonds3

About [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol

[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 82356628) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID82356628
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1ccc(-c2nc3cc(CO)ccn3c2N=O)cc1C
InChIInChI=1S/C16H15N3O2/c1-10-3-4-13(7-11(10)2)15-16(18-21)19-6-5-12(9-20)8-14(19)17-15/h3-8,20H,9H2,1-2H3
InChIKeyIZWXKLVRWVRYIZ-UHFFFAOYSA-N
XLogP3.51
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356660
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356291
[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol
CID 82356696
2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356379
[2-(2,4-dimethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82064373
6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356825
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
[3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82354549
5-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82356402
[3-[(2-methoxyphenyl)diazenyl]-2-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82355644
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol (CID 82356628) is [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol is Cc1ccc(-c2nc3cc(CO)ccn3c2N=O)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is IZWXKLVRWVRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-3-4-13(7-11(10)2)15-16(18-21)19-6-5-12(9-20)8-14(19)17-15/h3-8,20H,9H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 281.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 82356628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).