6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine

C6H3ClN4O2 — CID 83880374

IUPAC6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H
InChIKeyZUUMWXPZQXOLCN-UHFFFAOYSA-N
MW198.57 g/mol
LogP1.29
Rot. Bonds1

About 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83880374) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83880374
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H
InChIKeyZUUMWXPZQXOLCN-UHFFFAOYSA-N
XLogP1.29
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899513
6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 47290059
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117130961
6-chloro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130230
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine
CID 116990174
7-chloro-2-(chloromethyl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46398536
3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990115

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine (CID 83880374) is 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is O=[N+]([O-])c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZUUMWXPZQXOLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-6(11(12)13)9-10(5)3-4/h1-3H.
What are the key properties of 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 198.57 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).