3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline

C13H12BrFN2O — CID 60892612

IUPAC3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
SMILESNc1cc(F)cc(Br)c1OCCc1ccccn1
InChIInChI=1S/C13H12BrFN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2
InChIKeyNWPNSPHCAWWSQX-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.19
Rot. Bonds4

About 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline

3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline (PubChem CID 60892612) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
PubChem CID60892612
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
SMILESNc1cc(F)cc(Br)c1OCCc1ccccn1
InChIInChI=1S/C13H12BrFN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2
InChIKeyNWPNSPHCAWWSQX-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.19
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

3-bromo-5-chloro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892611
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358
3-bromo-5-fluoro-2-(4,4,4-trifluorobutoxy)aniline
CID 113326202
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864008
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
CID 63734475
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline?
The IUPAC name of 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline (CID 60892612) is 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline.
What is the SMILES notation for 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline?
The canonical SMILES for 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline is Nc1cc(F)cc(Br)c1OCCc1ccccn1.
What is the InChIKey of 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline?
The InChIKey is NWPNSPHCAWWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-11-7-9(15)8-12(16)13(11)18-6-4-10-3-1-2-5-17-10/h1-3,5,7-8H,4,6,16H2.
What are the key properties of 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline?
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline has a molecular weight of 311.15 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline is sourced from PubChem (CID 60892612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).