2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine

C9H7N3 — CID 145080935

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine
SMILESNC#Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H7N3/c10-3-1-7-5-8-2-4-11-9(8)12-6-7/h2,4-6H,10H2,(H,11,12)
InChIKeyHLMLKFYDSHHJBX-UHFFFAOYSA-N
MW157.18 g/mol
LogP0.83
Rot. Bonds

About 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine

2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine (PubChem CID 145080935) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine
PubChem CID145080935
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine
SMILESNC#Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H7N3/c10-3-1-7-5-8-2-4-11-9(8)12-6-7/h2,4-6H,10H2,(H,11,12)
InChIKeyHLMLKFYDSHHJBX-UHFFFAOYSA-N
XLogP0.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Rolodine
CID 5359646
Imidazo(4,5-b)pyridine
CID 67504
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
7-Azaindole-3-carbonitrile
CID 10313195
9H-Pyrido(2,3-b)indole
CID 67486
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine (CID 145080935) is 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine is NC#Cc1cnc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine?
The InChIKey is HLMLKFYDSHHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-3-1-7-5-8-2-4-11-9(8)12-6-7/h2,4-6H,10H2,(H,11,12).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine?
2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine has a molecular weight of 157.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine is sourced from PubChem (CID 145080935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).