7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine

C16H10ClN5 — CID 122193408

IUPAC7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1
InChIInChI=1S/C16H10ClN5/c17-14-2-1-11(7-19-14)12-8-20-16-15(12)22-13(9-21-16)10-3-5-18-6-4-10/h1-9H,(H,20,21)
InChIKeyNZTXIELVEWGKJA-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.74
Rot. Bonds2

About 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine

7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 122193408) has the molecular formula C16H10ClN5 and a molecular weight of 307.74 g/mol. Its IUPAC name is 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID122193408
Molecular FormulaC16H10ClN5
Molecular Weight307.74 g/mol
Exact Mass307.06
IUPAC Name7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1
InChIInChI=1S/C16H10ClN5/c17-14-2-1-11(7-19-14)12-8-20-16-15(12)22-13(9-21-16)10-3-5-18-6-4-10/h1-9H,(H,20,21)
InChIKeyNZTXIELVEWGKJA-UHFFFAOYSA-N
XLogP3.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine (CID 122193408) is 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine is Clc1ccc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1.
What is the InChIKey of 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is NZTXIELVEWGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5/c17-14-2-1-11(7-19-14)12-8-20-16-15(12)22-13(9-21-16)10-3-5-18-6-4-10/h1-9H,(H,20,21).
What are the key properties of 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine?
7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 307.74 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 122193408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).