3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol

C14H15N3O2 — CID 170826749

IUPAC3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C14H15N3O2/c1-9-6-7-12(11-5-3-2-4-10(9)11)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3
InChIKeyVWMYJWFSIVRPIJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.85
Rot. Bonds4

About 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol

3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol (PubChem CID 170826749) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
PubChem CID170826749
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C14H15N3O2/c1-9-6-7-12(11-5-3-2-4-10(9)11)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3
InChIKeyVWMYJWFSIVRPIJ-UHFFFAOYSA-N
XLogP2.85
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170828749
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
S-[2,3-dihydroxy-3-(4-methylnaphthalen-1-yl)propyl] ethanethioate
CID 170822662
3-azido-1-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
2-[3-(3-azido-1,2-dihydroxypropyl)indol-1-yl]acetic acid
CID 170827406
ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825697
3-azido-1-(2-isocyanatophenyl)propane-1,2-diol
CID 170826141
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol (CID 170826749) is 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN=[N+]=[N-])c2ccccc12.
What is the InChIKey of 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
The InChIKey is VWMYJWFSIVRPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-6-7-12(11-5-3-2-4-10(9)11)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3.
What are the key properties of 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol?
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol is sourced from PubChem (CID 170826749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).