(S)-azido(furan-2-yl)methanol

C5H5N3O2 — CID 135057123

IUPAC(S)-azido(furan-2-yl)methanol
SMILES[N-]=[N+]=N[C@@H](O)c1ccco1
InChIInChI=1S/C5H5N3O2/c6-8-7-5(9)4-2-1-3-10-4/h1-3,5,9H/t5-/m0/s1
InChIKeyOERJMXFOZHAXAZ-YFKPBYRVSA-N
MW139.11 g/mol
LogP1.58
Rot. Bonds2

About (S)-azido(furan-2-yl)methanol

(S)-azido(furan-2-yl)methanol (PubChem CID 135057123) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is (S)-azido(furan-2-yl)methanol.

Molecular Properties

Compound Name(S)-azido(furan-2-yl)methanol
PubChem CID135057123
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name(S)-azido(furan-2-yl)methanol
SMILES[N-]=[N+]=N[C@@H](O)c1ccco1
InChIInChI=1S/C5H5N3O2/c6-8-7-5(9)4-2-1-3-10-4/h1-3,5,9H/t5-/m0/s1
InChIKeyOERJMXFOZHAXAZ-YFKPBYRVSA-N
XLogP1.58
TPSA82.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
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

(3S,4S)-3-azido-4-(furan-2-yl)-4-hydroxybutan-2-one
CID 102234725
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
N-(1-azidoethyl)furan-2-amine
CID 175019842
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
2-(1-diazopropan-2-yl)furan
CID 119087241
2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
1-(furan-2-yl)propane-1-thiol
CID 62631809
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739

Frequently Asked Questions

What is the IUPAC name of (S)-azido(furan-2-yl)methanol?
The IUPAC name of (S)-azido(furan-2-yl)methanol (CID 135057123) is (S)-azido(furan-2-yl)methanol.
What is the SMILES notation for (S)-azido(furan-2-yl)methanol?
The canonical SMILES for (S)-azido(furan-2-yl)methanol is [N-]=[N+]=N[C@@H](O)c1ccco1.
What is the InChIKey of (S)-azido(furan-2-yl)methanol?
The InChIKey is OERJMXFOZHAXAZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-8-7-5(9)4-2-1-3-10-4/h1-3,5,9H/t5-/m0/s1.
What are the key properties of (S)-azido(furan-2-yl)methanol?
(S)-azido(furan-2-yl)methanol has a molecular weight of 139.11 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-azido(furan-2-yl)methanol is sourced from PubChem (CID 135057123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).