5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine

C6H3ClN4O2 — CID 5375533

IUPAC5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cc(Cl)nc2nc[nH]c12
InChIInChI=1S/C6H3ClN4O2/c7-4-1-3(11(12)13)5-6(10-4)9-2-8-5/h1-2H,(H,8,9,10)
InChIKeyIWQHZTCGVPZMSR-UHFFFAOYSA-N
MW198.57 g/mol
LogP1.52
Rot. Bonds1

About 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine

5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine (PubChem CID 5375533) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
PubChem CID5375533
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cc(Cl)nc2nc[nH]c12
InChIInChI=1S/C6H3ClN4O2/c7-4-1-3(11(12)13)5-6(10-4)9-2-8-5/h1-2H,(H,8,9,10)
InChIKeyIWQHZTCGVPZMSR-UHFFFAOYSA-N
XLogP1.52
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
4,7-dichloro-6-nitro-1H-benzimidazole
CID 95909581
6-(2-bromo-6-nitrophenoxy)-2-chloro-7H-purine
CID 104787036
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
2-chloro-5-iodo-4-nitropyridine
CID 131211540
4,7-dinitro-1H-benzimidazole
CID 119091833
5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 14391780
6-chloro-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-7H-purine
CID 86663939
1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
2-bromo-6-chloro-4-nitropyridin-3-ol
CID 154897670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine (CID 5375533) is 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine is O=[N+]([O-])c1cc(Cl)nc2nc[nH]c12.
What is the InChIKey of 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine?
The InChIKey is IWQHZTCGVPZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-4-1-3(11(12)13)5-6(10-4)9-2-8-5/h1-2H,(H,8,9,10).
What are the key properties of 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine?
5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine has a molecular weight of 198.57 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 5375533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).