2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine

C12H7Cl2IN6 — CID 158480244

IUPAC2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1cnc2[nH]cc(I)c2n1.Clc1cnc2[nH]ccc2n1
InChIInChI=1S/C6H3ClIN3.C6H4ClN3/c7-4-2-10-6-5(11-4)3(8)1-9-6;7-5-3-9-6-4(10-5)1-2-8-6/h1-2H,(H,9,10);1-3H,(H,8,9)
InChIKeyHHLABNJSZQHUBQ-UHFFFAOYSA-N
MW433.04 g/mol
LogP3.83
Rot. Bonds

About 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine

2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 158480244) has the molecular formula C12H7Cl2IN6 and a molecular weight of 433.04 g/mol. Its IUPAC name is 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine
PubChem CID158480244
Molecular FormulaC12H7Cl2IN6
Molecular Weight433.04 g/mol
Exact Mass431.92
IUPAC Name2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1cnc2[nH]cc(I)c2n1.Clc1cnc2[nH]ccc2n1
InChIInChI=1S/C6H3ClIN3.C6H4ClN3/c7-4-2-10-6-5(11-4)3(8)1-9-6;7-5-3-9-6-4(10-5)1-2-8-6/h1-2H,(H,9,10);1-3H,(H,8,9)
InChIKeyHHLABNJSZQHUBQ-UHFFFAOYSA-N
XLogP3.83
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine
CID 88944324
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 90104537
5H-pyrrolo[2,3-b]pyrazin-2-ylmethanamine
CID 67361463
2-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 150329888
2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine
CID 170467919
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)formamide
CID 87377333
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
CID 169485147
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yne-1-thiol
CID 169486707
N-tert-butyl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 162470615
2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 174839390
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
CID 129093662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine (CID 158480244) is 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine is Clc1cnc2[nH]cc(I)c2n1.Clc1cnc2[nH]ccc2n1.
What is the InChIKey of 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is HHLABNJSZQHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3.C6H4ClN3/c7-4-2-10-6-5(11-4)3(8)1-9-6;7-5-3-9-6-4(10-5)1-2-8-6/h1-2H,(H,9,10);1-3H,(H,8,9).
What are the key properties of 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine?
2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 433.04 g/mol, XLogP of 3.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 158480244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).