4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol

C10H13FN4O2 — CID 171880561

IUPAC4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1c(C(O)C(O)CCN=[N+]=[N-])ccnc1F
InChIInChI=1S/C10H13FN4O2/c1-6-7(2-4-13-10(6)11)9(17)8(16)3-5-14-15-12/h2,4,8-9,16-17H,3,5H2,1H3
InChIKeyANSHMGYEMDDFBH-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.62
Rot. Bonds5

About 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol

4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol (PubChem CID 171880561) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
PubChem CID171880561
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1c(C(O)C(O)CCN=[N+]=[N-])ccnc1F
InChIInChI=1S/C10H13FN4O2/c1-6-7(2-4-13-10(6)11)9(17)8(16)3-5-14-15-12/h2,4,8-9,16-17H,3,5H2,1H3
InChIKeyANSHMGYEMDDFBH-UHFFFAOYSA-N
XLogP1.62
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.62
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'}

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Related Compounds

4-azido-1-(2,3-dimethylphenyl)butane-1,2-diol
CID 171879020
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171879183
4-azido-1-(2-ethoxy-5-fluorophenyl)butane-1,2-diol
CID 171879785
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
4-azido-1-(2-propan-2-ylphenyl)butane-1,2-diol
CID 171879302
1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
methyl 3-(4-azido-1,2-dihydroxybutyl)-2-methylbenzoate
CID 171880038
4-azido-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2-diol
CID 171880596
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol (CID 171880561) is 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol is Cc1c(C(O)C(O)CCN=[N+]=[N-])ccnc1F.
What is the InChIKey of 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol?
The InChIKey is ANSHMGYEMDDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-6-7(2-4-13-10(6)11)9(17)8(16)3-5-14-15-12/h2,4,8-9,16-17H,3,5H2,1H3.
What are the key properties of 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol?
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol has a molecular weight of 240.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).