2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline

C13H12F2N2O — CID 63598649

IUPAC2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
SMILESNc1cc(F)c(OCCc2cccnc2)cc1F
InChIInChI=1S/C13H12F2N2O/c14-10-7-13(11(15)6-12(10)16)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8H,3,5,16H2
InChIKeyWUJAKFCYXLYQAR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.56
Rot. Bonds4

About 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline

2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline (PubChem CID 63598649) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
PubChem CID63598649
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
SMILESNc1cc(F)c(OCCc2cccnc2)cc1F
InChIInChI=1S/C13H12F2N2O/c14-10-7-13(11(15)6-12(10)16)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8H,3,5,16H2
InChIKeyWUJAKFCYXLYQAR-UHFFFAOYSA-N
XLogP2.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.56
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-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
CID 114674747
3-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]pyridine
CID 114675498
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline?
The IUPAC name of 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline (CID 63598649) is 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline is Nc1cc(F)c(OCCc2cccnc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline?
The InChIKey is WUJAKFCYXLYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-10-7-13(11(15)6-12(10)16)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8H,3,5,16H2.
What are the key properties of 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline?
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline has a molecular weight of 250.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline is sourced from PubChem (CID 63598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).