2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine

C8H6ClN3O2 — CID 28945252

IUPAC2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
SMILESCc1ccn2c([N+](=O)[O-])c(Cl)nc2c1
InChIInChI=1S/C8H6ClN3O2/c1-5-2-3-11-6(4-5)10-7(9)8(11)12(13)14/h2-4H,1H3
InChIKeyZOGZXANUZKECKK-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.20
Rot. Bonds1

About 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine

2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine (PubChem CID 28945252) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
PubChem CID28945252
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
SMILESCc1ccn2c([N+](=O)[O-])c(Cl)nc2c1
InChIInChI=1S/C8H6ClN3O2/c1-5-2-3-11-6(4-5)10-7(9)8(11)12(13)14/h2-4H,1H3
InChIKeyZOGZXANUZKECKK-UHFFFAOYSA-N
XLogP2.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine (CID 28945252) is 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine is Cc1ccn2c([N+](=O)[O-])c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is ZOGZXANUZKECKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-5-2-3-11-6(4-5)10-7(9)8(11)12(13)14/h2-4H,1H3.
What are the key properties of 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine?
2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 211.61 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 28945252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).