1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol

C10H15N5O2 — CID 171879144

IUPAC1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
SMILESCc1cc(N)ncc1C(O)C(O)CCN=[N+]=[N-]
InChIInChI=1S/C10H15N5O2/c1-6-4-9(11)13-5-7(6)10(17)8(16)2-3-14-15-12/h4-5,8,10,16-17H,2-3H2,1H3,(H2,11,13)
InChIKeyFOCSLSYZHZNYLT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.07
Rot. Bonds5

About 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol

1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol (PubChem CID 171879144) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol.

Molecular Properties

Compound Name1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
PubChem CID171879144
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
SMILESCc1cc(N)ncc1C(O)C(O)CCN=[N+]=[N-]
InChIInChI=1S/C10H15N5O2/c1-6-4-9(11)13-5-7(6)10(17)8(16)2-3-14-15-12/h4-5,8,10,16-17H,2-3H2,1H3,(H2,11,13)
InChIKeyFOCSLSYZHZNYLT-UHFFFAOYSA-N
XLogP1.07
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.07
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-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171879842
3-(4-azido-1,2-dihydroxybutyl)-5-methylpyridine-2-carboxylic acid
CID 171879919
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(2,3-dimethylphenyl)butane-1,2-diol
CID 171879020
(1R,2R)-2-amino-1-(6-amino-4-methyl-3-pyridinyl)propan-1-ol
CID 130884546
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171879183
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880561
5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921
2-amino-3-(4-azido-1,2-dihydroxybutyl)-5-methylbenzoic acid
CID 171880139
1-(4-amino-2,6-dichlorophenyl)-4-azidobutane-1,2-diol
CID 171879542

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol?
The IUPAC name of 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol (CID 171879144) is 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol.
What is the SMILES notation for 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol?
The canonical SMILES for 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol is Cc1cc(N)ncc1C(O)C(O)CCN=[N+]=[N-].
What is the InChIKey of 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol?
The InChIKey is FOCSLSYZHZNYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-4-9(11)13-5-7(6)10(17)8(16)2-3-14-15-12/h4-5,8,10,16-17H,2-3H2,1H3,(H2,11,13).
What are the key properties of 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol?
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol has a molecular weight of 237.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol is sourced from PubChem (CID 171879144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).