5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline

C12H11ClN2O — CID 62073920

IUPAC5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C12H11ClN2O/c1-8-2-4-10(7-15-8)16-12-5-3-9(13)6-11(12)14/h2-7H,14H2,1H3
InChIKeyAJJNLPQABZZKGK-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

About 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline

5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline (PubChem CID 62073920) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
PubChem CID62073920
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C12H11ClN2O/c1-8-2-4-10(7-15-8)16-12-5-3-9(13)6-11(12)14/h2-7H,14H2,1H3
InChIKeyAJJNLPQABZZKGK-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
CID 83064435
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
CID 114856955
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline?
The IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline (CID 62073920) is 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline.
What is the SMILES notation for 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline?
The canonical SMILES for 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline is Cc1ccc(Oc2ccc(Cl)cc2N)cn1.
What is the InChIKey of 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline?
The InChIKey is AJJNLPQABZZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-2-4-10(7-15-8)16-12-5-3-9(13)6-11(12)14/h2-7H,14H2,1H3.
What are the key properties of 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline?
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline has a molecular weight of 234.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 62073920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).