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

C11H7ClF2N2O — CID 86641686

IUPAC4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-10-5-7(1-2-16-10)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2
InChIKeyNBQNMVUNOQFQJQ-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.39
Rot. Bonds2

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

4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline (PubChem CID 86641686) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
PubChem CID86641686
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-10-5-7(1-2-16-10)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2
InChIKeyNBQNMVUNOQFQJQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
CID 54902859
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
3-[(2-chloro-4-pyridinyl)oxy]-4-methoxycyclobut-3-ene-1,2-dione
CID 118603804
3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]aniline
CID 55031499
3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline
CID 171537389
1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
CID 171635683
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline (CID 86641686) is 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline is Nc1cc(F)c(Oc2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline?
The InChIKey is NBQNMVUNOQFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-10-5-7(1-2-16-10)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2.
What are the key properties of 4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline?
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline 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-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline is sourced from PubChem (CID 86641686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).