1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine

C13H12BrFN2 — CID 105034708

IUPAC1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2/c14-12-7-10(15)3-4-11(12)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2
InChIKeyXCNZSGBAPLRXNI-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine

1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine (PubChem CID 105034708) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
PubChem CID105034708
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2/c14-12-7-10(15)3-4-11(12)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2
InChIKeyXCNZSGBAPLRXNI-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

1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105296709
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine (CID 105034708) is 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine?
The InChIKey is XCNZSGBAPLRXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-12-7-10(15)3-4-11(12)13(16)6-9-2-1-5-17-8-9/h1-5,7-8,13H,6,16H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine?
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine 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 1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).