6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine

C20H10Cl4N10 — CID 86654317

IUPAC6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine
SMILESClc1cc2c(cn1)ncn2-c1cncc(Cl)n1.Clc1cc2ncn(-c3cncc(Cl)n3)c2cn1
InChIInChI=1S/2C10H5Cl2N5/c11-8-1-7-6(2-14-8)15-5-17(7)10-4-13-3-9(12)16-10;11-8-1-6-7(2-14-8)17(5-15-6)10-4-13-3-9(12)16-10/h2*1-5H
InChIKeyVGBIYUFSQMMGAQ-UHFFFAOYSA-N
MW532.18 g/mol
LogP5.03
Rot. Bonds2

About 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine

6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine (PubChem CID 86654317) has the molecular formula C20H10Cl4N10 and a molecular weight of 532.18 g/mol. Its IUPAC name is 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine
PubChem CID86654317
Molecular FormulaC20H10Cl4N10
Molecular Weight532.18 g/mol
Exact Mass529.98
IUPAC Name6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine
SMILESClc1cc2c(cn1)ncn2-c1cncc(Cl)n1.Clc1cc2ncn(-c3cncc(Cl)n3)c2cn1
InChIInChI=1S/2C10H5Cl2N5/c11-8-1-7-6(2-14-8)15-5-17(7)10-4-13-3-9(12)16-10;11-8-1-6-7(2-14-8)17(5-15-6)10-4-13-3-9(12)16-10/h2*1-5H
InChIKeyVGBIYUFSQMMGAQ-UHFFFAOYSA-N
XLogP5.03
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.18
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine (CID 86654317) is 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine is Clc1cc2c(cn1)ncn2-c1cncc(Cl)n1.Clc1cc2ncn(-c3cncc(Cl)n3)c2cn1.
What is the InChIKey of 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is VGBIYUFSQMMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H5Cl2N5/c11-8-1-7-6(2-14-8)15-5-17(7)10-4-13-3-9(12)16-10;11-8-1-6-7(2-14-8)17(5-15-6)10-4-13-3-9(12)16-10/h2*1-5H.
What are the key properties of 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine?
6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 532.18 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine;6-chloro-3-(6-chloropyrazin-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 86654317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).