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

C12H11ClN2O — CID 62306214

IUPAC4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccc(Oc2cc(Cl)ccc2N)n1
InChIInChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-11-7-9(13)5-6-10(11)14/h2-7H,14H2,1H3
InChIKeyOJZBLOAZEXOSAP-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline

4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline (PubChem CID 62306214) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline
PubChem CID62306214
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccc(Oc2cc(Cl)ccc2N)n1
InChIInChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-11-7-9(13)5-6-10(11)14/h2-7H,14H2,1H3
InChIKeyOJZBLOAZEXOSAP-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

4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770590
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
4-chloro-2-(4-methylpyrimidin-2-yl)oxyaniline
CID 62960541
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
4-chloro-2-[(5-chloro-2-pyridinyl)oxy]aniline
CID 62306379
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243
2-amino-3-[(6-methyl-2-pyridinyl)oxy]phenol
CID 114764591
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline (CID 62306214) is 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline is Cc1cccc(Oc2cc(Cl)ccc2N)n1.
What is the InChIKey of 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is OJZBLOAZEXOSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-11-7-9(13)5-6-10(11)14/h2-7H,14H2,1H3.
What are the key properties of 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline?
4-chloro-2-[(6-methyl-2-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 4-chloro-2-[(6-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 62306214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).