2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine

C12H11BrClN3 — CID 105181188

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccncc1Cl
InChIInChI=1S/C12H11BrClN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2
InChIKeyAWPZRDROXRNRHD-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.13
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 105181188) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
PubChem CID105181188
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccncc1Cl
InChIInChI=1S/C12H11BrClN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2
InChIKeyAWPZRDROXRNRHD-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine (CID 105181188) is 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccncc1Cl.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is AWPZRDROXRNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 312.60 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 105181188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).