2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium

C10H7ClN3+ — CID 173252795

IUPAC2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium
SMILESClc1c[nH+]c2ccc3nccc3c2[nH]1
InChIInChI=1S/C10H6ClN3/c11-9-5-13-8-2-1-7-6(3-4-12-7)10(8)14-9/h1-5,14H/p+1
InChIKeyLKHSFKLMUNMAPL-UHFFFAOYSA-O
MW204.64 g/mol
LogP2.18
Rot. Bonds

About 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium

2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium (PubChem CID 173252795) has the molecular formula C10H7ClN3+ and a molecular weight of 204.64 g/mol. Its IUPAC name is 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium.

Molecular Properties

Compound Name2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium
PubChem CID173252795
Molecular FormulaC10H7ClN3+
Molecular Weight204.64 g/mol
Exact Mass204.03
IUPAC Name2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium
SMILESClc1c[nH+]c2ccc3nccc3c2[nH]1
InChIInChI=1S/C10H6ClN3/c11-9-5-13-8-2-1-7-6(3-4-12-7)10(8)14-9/h1-5,14H/p+1
InChIKeyLKHSFKLMUNMAPL-UHFFFAOYSA-O
XLogP2.18
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium?
The IUPAC name of 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium (CID 173252795) is 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium.
What is the SMILES notation for 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium?
The canonical SMILES for 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium is Clc1c[nH+]c2ccc3nccc3c2[nH]1.
What is the InChIKey of 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium?
The InChIKey is LKHSFKLMUNMAPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6ClN3/c11-9-5-13-8-2-1-7-6(3-4-12-7)10(8)14-9/h1-5,14H/p+1.
What are the key properties of 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium?
2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium has a molecular weight of 204.64 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-pyrrolo[3,2-f]quinoxalin-4-ium is sourced from PubChem (CID 173252795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).