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

C10H13ClN4O2 — CID 171879183

IUPAC4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccnc(Cl)c1C(O)C(O)CCN=[N+]=[N-]
InChIInChI=1S/C10H13ClN4O2/c1-6-2-4-13-10(11)8(6)9(17)7(16)3-5-14-15-12/h2,4,7,9,16-17H,3,5H2,1H3
InChIKeyCYHMBBHBYLNEIP-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.14
Rot. Bonds5

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

4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 171879183) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID171879183
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccnc(Cl)c1C(O)C(O)CCN=[N+]=[N-]
InChIInChI=1S/C10H13ClN4O2/c1-6-2-4-13-10(11)8(6)9(17)7(16)3-5-14-15-12/h2,4,7,9,16-17H,3,5H2,1H3
InChIKeyCYHMBBHBYLNEIP-UHFFFAOYSA-N
XLogP2.14
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.14
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

1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171893518
1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872018
1-(4-amino-2,6-dichlorophenyl)-4-azidobutane-1,2-diol
CID 171879542
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
4-azido-1-(3-methylthiophen-2-yl)butane-1,2-diol
CID 171878860
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880561
1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
CID 171880517
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol (CID 171879183) is 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol is Cc1ccnc(Cl)c1C(O)C(O)CCN=[N+]=[N-].
What is the InChIKey of 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is CYHMBBHBYLNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-6-2-4-13-10(11)8(6)9(17)7(16)3-5-14-15-12/h2,4,7,9,16-17H,3,5H2,1H3.
What are the key properties of 4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 256.69 g/mol, XLogP of 2.14, 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-chloro-4-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171879183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).