4-azido-2-chloro-5-methoxypyridine

C6H5ClN4O — CID 151941722

IUPAC4-azido-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C6H5ClN4O/c1-12-5-3-9-6(7)2-4(5)10-11-8/h2-3H,1H3
InChIKeyTUUWZOKQTICVOC-UHFFFAOYSA-N
MW184.59 g/mol
LogP2.69
Rot. Bonds2

About 4-azido-2-chloro-5-methoxypyridine

4-azido-2-chloro-5-methoxypyridine (PubChem CID 151941722) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 4-azido-2-chloro-5-methoxypyridine.

Molecular Properties

Compound Name4-azido-2-chloro-5-methoxypyridine
PubChem CID151941722
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name4-azido-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C6H5ClN4O/c1-12-5-3-9-6(7)2-4(5)10-11-8/h2-3H,1H3
InChIKeyTUUWZOKQTICVOC-UHFFFAOYSA-N
XLogP2.69
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-2-chloro-5-methoxypyridine?
The IUPAC name of 4-azido-2-chloro-5-methoxypyridine (CID 151941722) is 4-azido-2-chloro-5-methoxypyridine.
What is the SMILES notation for 4-azido-2-chloro-5-methoxypyridine?
The canonical SMILES for 4-azido-2-chloro-5-methoxypyridine is COc1cnc(Cl)cc1N=[N+]=[N-].
What is the InChIKey of 4-azido-2-chloro-5-methoxypyridine?
The InChIKey is TUUWZOKQTICVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-12-5-3-9-6(7)2-4(5)10-11-8/h2-3H,1H3.
What are the key properties of 4-azido-2-chloro-5-methoxypyridine?
4-azido-2-chloro-5-methoxypyridine has a molecular weight of 184.59 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-chloro-5-methoxypyridine is sourced from PubChem (CID 151941722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).