4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline

C12H11ClN2O2 — CID 64602118

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
SMILESCOc1cc(Oc2cncc(Cl)c2)ccc1N
InChIInChI=1S/C12H11ClN2O2/c1-16-12-5-9(2-3-11(12)14)17-10-4-8(13)6-15-7-10/h2-7H,14H2,1H3
InChIKeyHFEQOPARKQYFBK-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.12
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline

4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline (PubChem CID 64602118) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
PubChem CID64602118
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
SMILESCOc1cc(Oc2cncc(Cl)c2)ccc1N
InChIInChI=1S/C12H11ClN2O2/c1-16-12-5-9(2-3-11(12)14)17-10-4-8(13)6-15-7-10/h2-7H,14H2,1H3
InChIKeyHFEQOPARKQYFBK-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

2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
6-[(5-chloro-3-pyridinyl)oxy]-2-methoxypyridin-3-amine
CID 64602121
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline (CID 64602118) is 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline is COc1cc(Oc2cncc(Cl)c2)ccc1N.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline?
The InChIKey is HFEQOPARKQYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-12-5-9(2-3-11(12)14)17-10-4-8(13)6-15-7-10/h2-7H,14H2,1H3.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline?
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline 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 4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline is sourced from PubChem (CID 64602118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).