2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid

C10H8ClN3O3 — CID 82530556

IUPAC2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
SMILESCc1cc(Cl)c2nc(CC(=O)O)c(N=O)n2c1
InChIInChI=1S/C10H8ClN3O3/c1-5-2-6(11)9-12-7(3-8(15)16)10(13-17)14(9)4-5/h2,4H,3H2,1H3,(H,15,16)
InChIKeyQOJVVZTWFGSERP-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.32
Rot. Bonds3

About 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid

2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid (PubChem CID 82530556) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.64 g/mol. Its IUPAC name is 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
PubChem CID82530556
Molecular FormulaC10H8ClN3O3
Molecular Weight253.64 g/mol
Exact Mass253.03
IUPAC Name2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
SMILESCc1cc(Cl)c2nc(CC(=O)O)c(N=O)n2c1
InChIInChI=1S/C10H8ClN3O3/c1-5-2-6(11)9-12-7(3-8(15)16)10(13-17)14(9)4-5/h2,4H,3H2,1H3,(H,15,16)
InChIKeyQOJVVZTWFGSERP-UHFFFAOYSA-N
XLogP2.32
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid (CID 82530556) is 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid is Cc1cc(Cl)c2nc(CC(=O)O)c(N=O)n2c1.
What is the InChIKey of 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The InChIKey is QOJVVZTWFGSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-5-2-6(11)9-12-7(3-8(15)16)10(13-17)14(9)4-5/h2,4H,3H2,1H3,(H,15,16).
What are the key properties of 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid has a molecular weight of 253.64 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid is sourced from PubChem (CID 82530556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).