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

C8H5N5O — CID 146591530

IUPAC1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C8H5N5O/c9-13-12-8(14)6-4-11-7-5(6)2-1-3-10-7/h1-4H,(H,10,11)
InChIKeyYVRTZPJTEDZWQR-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.01
Rot. Bonds1

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

1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide (PubChem CID 146591530) has the molecular formula C8H5N5O and a molecular weight of 187.16 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
PubChem CID146591530
Molecular FormulaC8H5N5O
Molecular Weight187.16 g/mol
Exact Mass187.05
IUPAC Name1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C8H5N5O/c9-13-12-8(14)6-4-11-7-5(6)2-1-3-10-7/h1-4H,(H,10,11)
InChIKeyYVRTZPJTEDZWQR-UHFFFAOYSA-N
XLogP2.01
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.01
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

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591499
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824388
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
CID 137244743
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 114037995

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide (CID 146591530) is 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide is [N-]=[N+]=NC(=O)c1c[nH]c2ncccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
The InChIKey is YVRTZPJTEDZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O/c9-13-12-8(14)6-4-11-7-5(6)2-1-3-10-7/h1-4H,(H,10,11).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide?
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide has a molecular weight of 187.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide is sourced from PubChem (CID 146591530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).