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

C12H11ClN2O — CID 43173727

IUPAC3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(N)cc2Cl)nc1
InChIInChI=1S/C12H11ClN2O/c1-8-2-5-12(15-7-8)16-11-4-3-9(14)6-10(11)13/h2-7H,14H2,1H3
InChIKeyPLEUWCNEEZXOOE-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

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

3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline (PubChem CID 43173727) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
PubChem CID43173727
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
SMILESCc1ccc(Oc2ccc(N)cc2Cl)nc1
InChIInChI=1S/C12H11ClN2O/c1-8-2-5-12(15-7-8)16-11-4-3-9(14)6-10(11)13/h2-7H,14H2,1H3
InChIKeyPLEUWCNEEZXOOE-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

ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
CID 155134591
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
CID 130155682
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
CID 21391500
4-(2-tert-butyl-5-methylphenoxy)-3-chloroaniline
CID 29012989
4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
CID 63691348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline (CID 43173727) is 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline is Cc1ccc(Oc2ccc(N)cc2Cl)nc1.
What is the InChIKey of 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is PLEUWCNEEZXOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-2-5-12(15-7-8)16-11-4-3-9(14)6-10(11)13/h2-7H,14H2,1H3.
What are the key properties of 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline?
3-chloro-4-[(5-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 3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 43173727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).