5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline

C11H10ClN3O — CID 83064435

IUPAC5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
SMILESCc1nccnc1Oc1ccc(Cl)cc1N
InChIInChI=1S/C11H10ClN3O/c1-7-11(15-5-4-14-7)16-10-3-2-8(12)6-9(10)13/h2-6H,13H2,1H3
InChIKeyQOAQVPGAQCXCPC-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline

5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline (PubChem CID 83064435) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline.

Molecular Properties

Compound Name5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
PubChem CID83064435
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
SMILESCc1nccnc1Oc1ccc(Cl)cc1N
InChIInChI=1S/C11H10ClN3O/c1-7-11(15-5-4-14-7)16-10-3-2-8(12)6-9(10)13/h2-6H,13H2,1H3
InChIKeyQOAQVPGAQCXCPC-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830084
5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
CID 83062806
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline?
The IUPAC name of 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline (CID 83064435) is 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline.
What is the SMILES notation for 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline?
The canonical SMILES for 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline is Cc1nccnc1Oc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline?
The InChIKey is QOAQVPGAQCXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-11(15-5-4-14-7)16-10-3-2-8(12)6-9(10)13/h2-6H,13H2,1H3.
What are the key properties of 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline?
5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline has a molecular weight of 235.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline is sourced from PubChem (CID 83064435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).