2-chloro-3-(1H-pyrrol-2-yl)pyrazine

C8H6ClN3 — CID 103341752

IUPAC2-chloro-3-(1H-pyrrol-2-yl)pyrazine
SMILESClc1nccnc1-c1ccc[nH]1
InChIInChI=1S/C8H6ClN3/c9-8-7(11-4-5-12-8)6-2-1-3-10-6/h1-5,10H
InChIKeyLMYSZXHROFQTAH-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.13
Rot. Bonds1

About 2-chloro-3-(1H-pyrrol-2-yl)pyrazine

2-chloro-3-(1H-pyrrol-2-yl)pyrazine (PubChem CID 103341752) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-chloro-3-(1H-pyrrol-2-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1H-pyrrol-2-yl)pyrazine
PubChem CID103341752
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name2-chloro-3-(1H-pyrrol-2-yl)pyrazine
SMILESClc1nccnc1-c1ccc[nH]1
InChIInChI=1S/C8H6ClN3/c9-8-7(11-4-5-12-8)6-2-1-3-10-6/h1-5,10H
InChIKeyLMYSZXHROFQTAH-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole
CID 141030626
4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
CID 103341746
2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine
CID 141489852
3-pyridin-2-yl-2-(1H-pyrrol-2-yl)quinoline
CID 140974379
6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine
CID 175273250
5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 150674628
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 136984377
2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 10582938
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
5,6-dimethyl-3-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341831
2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
CID 18426038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1H-pyrrol-2-yl)pyrazine?
The IUPAC name of 2-chloro-3-(1H-pyrrol-2-yl)pyrazine (CID 103341752) is 2-chloro-3-(1H-pyrrol-2-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1H-pyrrol-2-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(1H-pyrrol-2-yl)pyrazine is Clc1nccnc1-c1ccc[nH]1.
What is the InChIKey of 2-chloro-3-(1H-pyrrol-2-yl)pyrazine?
The InChIKey is LMYSZXHROFQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-8-7(11-4-5-12-8)6-2-1-3-10-6/h1-5,10H.
What are the key properties of 2-chloro-3-(1H-pyrrol-2-yl)pyrazine?
2-chloro-3-(1H-pyrrol-2-yl)pyrazine has a molecular weight of 179.61 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1H-pyrrol-2-yl)pyrazine is sourced from PubChem (CID 103341752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).