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

C9H5Cl2N3O3 — CID 82530558

IUPAC2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
SMILESO=Nc1c(CC(=O)O)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H5Cl2N3O3/c10-4-1-5(11)8-12-6(2-7(15)16)9(13-17)14(8)3-4/h1,3H,2H2,(H,15,16)
InChIKeyVPIXNDXNDVCFKB-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.67
Rot. Bonds3

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

2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid (PubChem CID 82530558) has the molecular formula C9H5Cl2N3O3 and a molecular weight of 274.06 g/mol. Its IUPAC name is 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
PubChem CID82530558
Molecular FormulaC9H5Cl2N3O3
Molecular Weight274.06 g/mol
Exact Mass272.97
IUPAC Name2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
SMILESO=Nc1c(CC(=O)O)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H5Cl2N3O3/c10-4-1-5(11)8-12-6(2-7(15)16)9(13-17)14(8)3-4/h1,3H,2H2,(H,15,16)
InChIKeyVPIXNDXNDVCFKB-UHFFFAOYSA-N
XLogP2.67
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-chloro-6-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82530556
3-bromo-6,8-dichloro-2-ethylimidazo[1,2-a]pyridine
CID 154666719
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71469830
2-(6-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869441
2-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)acetic acid;hydrochloride
CID 82530799
3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362699
2-(7-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869402
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
CID 165067563
7,9-dichloropyrido[1,2-a]pyrimidin-4-one
CID 23246547
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
CID 174457480

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid (CID 82530558) is 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid is O=Nc1c(CC(=O)O)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
The InChIKey is VPIXNDXNDVCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O3/c10-4-1-5(11)8-12-6(2-7(15)16)9(13-17)14(8)3-4/h1,3H,2H2,(H,15,16).
What are the key properties of 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid?
2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid has a molecular weight of 274.06 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid is sourced from PubChem (CID 82530558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).