3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol

C10H13N5O2 — CID 170826178

IUPAC3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnc2c(c1)CCN2
InChIInChI=1S/C10H13N5O2/c11-15-14-5-8(16)9(17)7-3-6-1-2-12-10(6)13-4-7/h3-4,8-9,16-17H,1-2,5H2,(H,12,13)
InChIKeyBMKSFONXXMIOMR-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.75
Rot. Bonds4

About 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol

3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol (PubChem CID 170826178) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
PubChem CID170826178
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnc2c(c1)CCN2
InChIInChI=1S/C10H13N5O2/c11-15-14-5-8(16)9(17)7-3-6-1-2-12-10(6)13-4-7/h3-4,8-9,16-17H,1-2,5H2,(H,12,13)
InChIKeyBMKSFONXXMIOMR-UHFFFAOYSA-N
XLogP0.75
TPSA114.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
CID 171862190
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydroxypropanamide
CID 171868320
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
tert-butyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171884997
4-azido-1-(2,3-dihydro-1H-indol-5-yl)butane-1,2-diol
CID 171879635
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
5-(3-azido-1,2-dihydroxypropyl)-3-nitropyridine-2-carbonitrile
CID 170826744
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol (CID 170826178) is 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1cnc2c(c1)CCN2.
What is the InChIKey of 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The InChIKey is BMKSFONXXMIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-15-14-5-8(16)9(17)7-3-6-1-2-12-10(6)13-4-7/h3-4,8-9,16-17H,1-2,5H2,(H,12,13).
What are the key properties of 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol has a molecular weight of 235.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol is sourced from PubChem (CID 170826178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).