1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine

C12H12ClN5O — CID 165381053

IUPAC1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
SMILESCOc1cnc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C12H12ClN5O/c1-12(2,17-18-14)11-7-4-10(13)15-5-8(7)9(19-3)6-16-11/h4-6H,1-3H3
InChIKeyBRABIBWDMBJOFK-UHFFFAOYSA-N
MW277.72 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine

1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine (PubChem CID 165381053) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine.

Molecular Properties

Compound Name1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
PubChem CID165381053
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
SMILESCOc1cnc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C12H12ClN5O/c1-12(2,17-18-14)11-7-4-10(13)15-5-8(7)9(19-3)6-16-11/h4-6H,1-3H3
InChIKeyBRABIBWDMBJOFK-UHFFFAOYSA-N
XLogP3.84
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine?
The IUPAC name of 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine (CID 165381053) is 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine.
What is the SMILES notation for 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine?
The canonical SMILES for 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine is COc1cnc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12.
What is the InChIKey of 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine?
The InChIKey is BRABIBWDMBJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-12(2,17-18-14)11-7-4-10(13)15-5-8(7)9(19-3)6-16-11/h4-6H,1-3H3.
What are the key properties of 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine?
1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine has a molecular weight of 277.72 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine is sourced from PubChem (CID 165381053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).