[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol

C15H12ClN3O2 — CID 82356660

IUPAC[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1ccc(Cl)cc1-c1nc2cc(CO)ccn2c1N=O
InChIInChI=1S/C15H12ClN3O2/c1-9-2-3-11(16)7-12(9)14-15(18-21)19-5-4-10(8-20)6-13(19)17-14/h2-7,20H,8H2,1H3
InChIKeyVJUFNDOXFPHMLI-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.85
Rot. Bonds3

About [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol

[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 82356660) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID82356660
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1ccc(Cl)cc1-c1nc2cc(CO)ccn2c1N=O
InChIInChI=1S/C15H12ClN3O2/c1-9-2-3-11(16)7-12(9)14-15(18-21)19-5-4-10(8-20)6-13(19)17-14/h2-7,20H,8H2,1H3
InChIKeyVJUFNDOXFPHMLI-UHFFFAOYSA-N
XLogP3.85
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628
6-chloro-2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 95967161
[3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82354549
[2-(2,4-dimethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82064373
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356825
2-(2,4-dimethoxyphenyl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356383
[3-[(2-methoxyphenyl)diazenyl]-2-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82355644
2-(2,5-difluorophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356270
[2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-6-yl]methanol
CID 82356696
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
[3-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82354571

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol (CID 82356660) is [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol is Cc1ccc(Cl)cc1-c1nc2cc(CO)ccn2c1N=O.
What is the InChIKey of [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is VJUFNDOXFPHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-2-3-11(16)7-12(9)14-15(18-21)19-5-4-10(8-20)6-13(19)17-14/h2-7,20H,8H2,1H3.
What are the key properties of [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol?
[2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 301.73 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 82356660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).