2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

C18H11ClN6 — CID 126677482

IUPAC2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESClc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1
InChIInChI=1S/C18H11ClN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
InChIKeyBKZCTAIDOAKCRI-UHFFFAOYSA-N
MW346.78 g/mol
LogP3.78
Rot. Bonds2

About 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 126677482) has the molecular formula C18H11ClN6 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID126677482
Molecular FormulaC18H11ClN6
Molecular Weight346.78 g/mol
Exact Mass346.07
IUPAC Name2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESClc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1
InChIInChI=1S/C18H11ClN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
InChIKeyBKZCTAIDOAKCRI-UHFFFAOYSA-N
XLogP3.78
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine (CID 126677482) is 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine is Clc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is BKZCTAIDOAKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H.
What are the key properties of 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 346.78 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 126677482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).