5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide

C8H4FN5O — CID 146591499

IUPAC5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C8H4FN5O/c9-4-1-5-6(8(15)13-14-10)3-12-7(5)11-2-4/h1-3H,(H,11,12)
InChIKeyMSLBKDDHRHGWNQ-UHFFFAOYSA-N
MW205.15 g/mol
LogP2.15
Rot. Bonds1

About 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide

5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide (PubChem CID 146591499) has the molecular formula C8H4FN5O and a molecular weight of 205.15 g/mol. Its IUPAC name is 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide.

Molecular Properties

Compound Name5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
PubChem CID146591499
Molecular FormulaC8H4FN5O
Molecular Weight205.15 g/mol
Exact Mass205.04
IUPAC Name5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C8H4FN5O/c9-4-1-5-6(8(15)13-14-10)3-12-7(5)11-2-4/h1-3H,(H,11,12)
InChIKeyMSLBKDDHRHGWNQ-UHFFFAOYSA-N
XLogP2.15
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
6-fluoro-1H-indole-3-carbonyl azide
CID 150051952
5-(trifluoromethyl)-1H-indole-3-carbonyl azide
CID 169186501
5-chloro-1H-indole-3-carbonyl azide
CID 156566059
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 88533301
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 141299053
(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11450654
methyl 3-[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]propanoate
CID 142462876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The IUPAC name of 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide (CID 146591499) is 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide.
What is the SMILES notation for 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The canonical SMILES for 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide is [N-]=[N+]=NC(=O)c1c[nH]c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The InChIKey is MSLBKDDHRHGWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN5O/c9-4-1-5-6(8(15)13-14-10)3-12-7(5)11-2-4/h1-3H,(H,11,12).
What are the key properties of 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide has a molecular weight of 205.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide is sourced from PubChem (CID 146591499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).