2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine

C13H11BrClFN2 — CID 105172091

IUPAC2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccncc1Cl
InChIInChI=1S/C13H11BrClFN2/c14-13-8(2-1-3-11(13)16)6-12(17)9-4-5-18-7-10(9)15/h1-5,7,12H,6,17H2
InChIKeyBPJLWVLMQPEQIU-UHFFFAOYSA-N
MW329.60 g/mol
LogP3.88
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 105172091) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
PubChem CID105172091
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccncc1Cl
InChIInChI=1S/C13H11BrClFN2/c14-13-8(2-1-3-11(13)16)6-12(17)9-4-5-18-7-10(9)15/h1-5,7,12H,6,17H2
InChIKeyBPJLWVLMQPEQIU-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105172090
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
[2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105327156
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine (CID 105172091) is 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine is NC(Cc1cccc(F)c1Br)c1ccncc1Cl.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is BPJLWVLMQPEQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c14-13-8(2-1-3-11(13)16)6-12(17)9-4-5-18-7-10(9)15/h1-5,7,12H,6,17H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 329.60 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 105172091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).