1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol

C9H13N5O2 — CID 170825677

IUPAC1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
SMILESCc1ncc(N)cc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H13N5O2/c1-5-7(2-6(10)3-12-5)9(16)8(15)4-13-14-11/h2-3,8-9,15-16H,4,10H2,1H3
InChIKeyOUEJJFMESBFEQX-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.68
Rot. Bonds4

About 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol

1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol (PubChem CID 170825677) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
PubChem CID170825677
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
SMILESCc1ncc(N)cc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H13N5O2/c1-5-7(2-6(10)3-12-5)9(16)8(15)4-13-14-11/h2-3,8-9,15-16H,4,10H2,1H3
InChIKeyOUEJJFMESBFEQX-UHFFFAOYSA-N
XLogP0.68
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Related Compounds

1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
2-amino-3-(3-azido-1,2-dihydroxypropyl)-5-methylbenzoic acid
CID 170826695
1-(2-amino-5-tert-butylphenyl)-3-azidopropane-1,2-diol
CID 170826678
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825667
1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
CID 170825722
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol (CID 170825677) is 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol is Cc1ncc(N)cc1C(O)C(O)CN=[N+]=[N-].
What is the InChIKey of 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol?
The InChIKey is OUEJJFMESBFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-7(2-6(10)3-12-5)9(16)8(15)4-13-14-11/h2-3,8-9,15-16H,4,10H2,1H3.
What are the key properties of 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol?
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol has a molecular weight of 223.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170825677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).