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

C9H13N5O2 — CID 170825697

IUPAC1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
SMILESCc1ccc(N)nc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H13N5O2/c1-5-2-3-7(10)13-8(5)9(16)6(15)4-12-14-11/h2-3,6,9,15-16H,4H2,1H3,(H2,10,13)
InChIKeyPVVQEAJPPPUXBW-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.68
Rot. Bonds4

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

1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol (PubChem CID 170825697) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
PubChem CID170825697
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
SMILESCc1ccc(N)nc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H13N5O2/c1-5-2-3-7(10)13-8(5)9(16)6(15)4-12-14-11/h2-3,6,9,15-16H,4H2,1H3,(H2,10,13)
InChIKeyPVVQEAJPPPUXBW-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-(6-amino-3-methyl-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873767
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
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
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825667
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol (CID 170825697) is 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol is Cc1ccc(N)nc1C(O)C(O)CN=[N+]=[N-].
What is the InChIKey of 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol?
The InChIKey is PVVQEAJPPPUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-2-3-7(10)13-8(5)9(16)6(15)4-12-14-11/h2-3,6,9,15-16H,4H2,1H3,(H2,10,13).
What are the key properties of 1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol?
1-(6-amino-3-methyl-2-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-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170825697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).