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

C11H7ClF2N2O — CID 112676066

IUPAC4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Cl)c(Oc2ncc(F)cc2F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-8-2-1-7(15)4-10(8)17-11-9(14)3-6(13)5-16-11/h1-5H,15H2
InChIKeyLYUYOPQCIRKOMP-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.39
Rot. Bonds2

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

4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline (PubChem CID 112676066) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
PubChem CID112676066
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Cl)c(Oc2ncc(F)cc2F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-8-2-1-7(15)4-10(8)17-11-9(14)3-6(13)5-16-11/h1-5H,15H2
InChIKeyLYUYOPQCIRKOMP-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.39
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-3-(5-fluoropyrimidin-2-yl)oxyaniline
CID 104606271
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
CID 112676365
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
CID 112676280
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
5-chloro-2-(2-chloro-5-fluorophenoxy)pyridine-3-carboxamide
CID 141112105
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
4-chloro-3-fluoroaniline
CID 2736511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline (CID 112676066) is 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline is Nc1ccc(Cl)c(Oc2ncc(F)cc2F)c1.
What is the InChIKey of 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline?
The InChIKey is LYUYOPQCIRKOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-8-2-1-7(15)4-10(8)17-11-9(14)3-6(13)5-16-11/h1-5H,15H2.
What are the key properties of 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline?
4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline has a molecular weight of 256.64 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 112676066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).