(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol

C9H9N3O2 — CID 167482973

IUPAC(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
SMILES[N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O
InChIInChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1
InChIKeyGVZIVUKIDQYGLV-CBAPKCEASA-N
MW191.19 g/mol
LogP1.79
Rot. Bonds1

About (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol

(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol (PubChem CID 167482973) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
PubChem CID167482973
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
SMILES[N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O
InChIInChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1
InChIKeyGVZIVUKIDQYGLV-CBAPKCEASA-N
XLogP1.79
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.79
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

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CID 71390027
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(1aR,6S,6aS)-6-azido-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 10442175
3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174658679
6,13-diazido-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-5,12-diol
CID 12884697
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2,3-dihydro-1-benzofuran-3-ylboronic acid
CID 66877807

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol (CID 167482973) is (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol is [N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is GVZIVUKIDQYGLV-CBAPKCEASA-N. The full InChI is InChI=1S/C9H9N3O2/c10-12-11-9-6-3-1-2-4-8(6)14-5-7(9)13/h1-4,7,9,13H,5H2/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol?
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 191.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 167482973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).