3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol

C9H11FN4O2 — CID 170825728

IUPAC3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1nc(F)ccc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H11FN4O2/c1-5-6(2-3-8(10)13-5)9(16)7(15)4-12-14-11/h2-3,7,9,15-16H,4H2,1H3
InChIKeyBMQHBHFYSYEXLK-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.23
Rot. Bonds4

About 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol

3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol (PubChem CID 170825728) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
PubChem CID170825728
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC Name3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1nc(F)ccc1C(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C9H11FN4O2/c1-5-6(2-3-8(10)13-5)9(16)7(15)4-12-14-11/h2-3,7,9,15-16H,4H2,1H3
InChIKeyBMQHBHFYSYEXLK-UHFFFAOYSA-N
XLogP1.23
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
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'}

Analyze 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
1-(4-amino-2-chloro-3-fluorophenyl)-3-azidopropane-1,2-diol
CID 170826101
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
2-(3-azido-1,2-dihydroxypropyl)-5-fluorobenzoic acid
CID 170826303
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol (CID 170825728) is 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol is Cc1nc(F)ccc1C(O)C(O)CN=[N+]=[N-].
What is the InChIKey of 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is BMQHBHFYSYEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2/c1-5-6(2-3-8(10)13-5)9(16)7(15)4-12-14-11/h2-3,7,9,15-16H,4H2,1H3.
What are the key properties of 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol?
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 226.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).