2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline

C12H10F2N2O — CID 63598643

IUPAC2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
SMILESNc1cc(F)c(OCc2ccncc2)cc1F
InChIInChI=1S/C12H10F2N2O/c13-9-6-12(10(14)5-11(9)15)17-7-8-1-3-16-4-2-8/h1-6H,7,15H2
InChIKeyDVQFPAPGVGUIMH-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.52
Rot. Bonds3

About 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline

2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline (PubChem CID 63598643) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
PubChem CID63598643
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
SMILESNc1cc(F)c(OCc2ccncc2)cc1F
InChIInChI=1S/C12H10F2N2O/c13-9-6-12(10(14)5-11(9)15)17-7-8-1-3-16-4-2-8/h1-6H,7,15H2
InChIKeyDVQFPAPGVGUIMH-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.52
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

2-(pyridin-4-ylmethoxy)aniline
CID 16788077
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
CID 66653354
4-[(1-ethylpyrazol-4-yl)methoxy]-2,5-difluoroaniline
CID 63600050
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine
CID 168605002
4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine
CID 114675436
pyridin-4-ylmethyl 4-amino-3-fluorobenzoate
CID 55102687
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline?
The IUPAC name of 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline (CID 63598643) is 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline is Nc1cc(F)c(OCc2ccncc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline?
The InChIKey is DVQFPAPGVGUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-6-12(10(14)5-11(9)15)17-7-8-1-3-16-4-2-8/h1-6H,7,15H2.
What are the key properties of 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline?
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline has a molecular weight of 236.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline is sourced from PubChem (CID 63598643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).