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

C12H11ClN2O2 — CID 107717898

IUPAC3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
SMILESCOc1cccc(Oc2c(N)cccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2/c1-16-10-6-3-7-11(15-10)17-12-8(13)4-2-5-9(12)14/h2-7H,14H2,1H3
InChIKeyOSKNRQBLHOBMCP-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.12
Rot. Bonds3

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

3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline (PubChem CID 107717898) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
PubChem CID107717898
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
SMILESCOc1cccc(Oc2c(N)cccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2/c1-16-10-6-3-7-11(15-10)17-12-8(13)4-2-5-9(12)14/h2-7H,14H2,1H3
InChIKeyOSKNRQBLHOBMCP-UHFFFAOYSA-N
XLogP3.12
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.12
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

3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
4-[(6-methoxy-2-pyridinyl)oxy]naphthalen-1-amine
CID 63692036
3-chloro-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 107717858
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide
CID 107717917
3-chloro-2-(3,5-dimethylphenoxy)aniline
CID 26189205
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
2-N-(2,3-dichlorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320367
[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
CID 63590629
3-chloro-2-isoquinolin-1-yloxyaniline
CID 107718011

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline (CID 107717898) is 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline is COc1cccc(Oc2c(N)cccc2Cl)n1.
What is the InChIKey of 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline?
The InChIKey is OSKNRQBLHOBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-10-6-3-7-11(15-10)17-12-8(13)4-2-5-9(12)14/h2-7H,14H2,1H3.
What are the key properties of 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline?
3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline has a molecular weight of 250.69 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 107717898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).