2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

C13H12BrFN2 — CID 79722736

IUPAC2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12BrFN2/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-17-13/h1-6,8,12H,7,16H2
InChIKeyWAWBTILRLUJCQK-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79722736) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79722736
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12BrFN2/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-17-13/h1-6,8,12H,7,16H2
InChIKeyWAWBTILRLUJCQK-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 82923360
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722329
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
CID 107356915
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
CID 79721767
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79722736) is 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccc(F)cn1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is WAWBTILRLUJCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-10-3-1-9(2-4-10)7-12(16)13-6-5-11(15)8-17-13/h1-6,8,12H,7,16H2.
What are the key properties of 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 295.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79722736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).