4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline

C13H12BrFN2 — CID 55169012

IUPAC4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cc(Br)ccc1NCCc1cccnc1
InChIInChI=1S/C13H12BrFN2/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2
InChIKeyNNEMZNFSCREATN-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.64
Rot. Bonds4

About 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline

4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 55169012) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
PubChem CID55169012
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cc(Br)ccc1NCCc1cccnc1
InChIInChI=1S/C13H12BrFN2/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2
InChIKeyNNEMZNFSCREATN-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
4-bromo-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688584
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 63873791
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
3-bromo-4-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 114262038
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
4-bromo-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 43115534

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline (CID 55169012) is 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline is Fc1cc(Br)ccc1NCCc1cccnc1.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is NNEMZNFSCREATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17H,5,7H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline?
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 295.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 55169012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).