4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine

C13H14ClN5O — CID 165380906

IUPAC4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
SMILESCOC[C@@](C)(N=[N+]=[N-])c1cnc(C)c2cnc(Cl)cc12
InChIInChI=1S/C13H14ClN5O/c1-8-10-5-17-12(14)4-9(10)11(6-16-8)13(2,7-20-3)18-19-15/h4-6H,7H2,1-3H3/t13-/m1/s1
InChIKeyCAHIYCRJJZSFGN-CYBMUJFWSA-N
MW291.74 g/mol
LogP3.76
Rot. Bonds4

About 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine

4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine (PubChem CID 165380906) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine.

Molecular Properties

Compound Name4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
PubChem CID165380906
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
SMILESCOC[C@@](C)(N=[N+]=[N-])c1cnc(C)c2cnc(Cl)cc12
InChIInChI=1S/C13H14ClN5O/c1-8-10-5-17-12(14)4-9(10)11(6-16-8)13(2,7-20-3)18-19-15/h4-6H,7H2,1-3H3/t13-/m1/s1
InChIKeyCAHIYCRJJZSFGN-CYBMUJFWSA-N
XLogP3.76
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.76
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 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine?
The IUPAC name of 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine (CID 165380906) is 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine.
What is the SMILES notation for 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine?
The canonical SMILES for 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine is COC[C@@](C)(N=[N+]=[N-])c1cnc(C)c2cnc(Cl)cc12.
What is the InChIKey of 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine?
The InChIKey is CAHIYCRJJZSFGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8-10-5-17-12(14)4-9(10)11(6-16-8)13(2,7-20-3)18-19-15/h4-6H,7H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine?
4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine has a molecular weight of 291.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine is sourced from PubChem (CID 165380906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).