2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid

C8H10ClN3O3 — CID 114335475

IUPAC2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H10ClN3O3/c9-6-3-10-4-7(12-6)11-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyDXIBJSCQIAVSRX-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid

2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid (PubChem CID 114335475) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
PubChem CID114335475
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H10ClN3O3/c9-6-3-10-4-7(12-6)11-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyDXIBJSCQIAVSRX-UHFFFAOYSA-N
XLogP0.64
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
CID 62505407
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
6-[(6-chloropyrazin-2-yl)amino]-4,4-dimethylhexanoic acid
CID 114335451
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
6-chloro-N-propylpyrazin-2-amine
CID 26370207
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
2-[4-[[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]amino]butoxy]acetic acid
CID 175199530
2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
CID 114335389
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
CID 66458107

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid (CID 114335475) is 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid is O=C(O)COCCNc1cncc(Cl)n1.
What is the InChIKey of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid?
The InChIKey is DXIBJSCQIAVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c9-6-3-10-4-7(12-6)11-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid?
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid has a molecular weight of 231.64 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid is sourced from PubChem (CID 114335475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).