6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine

C13H12BrClN2 — CID 113228015

IUPAC6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3
InChIKeyNZSUJWVYDAKEDV-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.67
Rot. Bonds3

About 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine

6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine (PubChem CID 113228015) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
PubChem CID113228015
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3
InChIKeyNZSUJWVYDAKEDV-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
N-[1-(2-chlorophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689544
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine
CID 154860585
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802259
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 114051633
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine (CID 113228015) is 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine is CC(Nc1ccc(Br)nc1)c1ccccc1Cl.
What is the InChIKey of 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine?
The InChIKey is NZSUJWVYDAKEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3.
What are the key properties of 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine?
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine has a molecular weight of 311.61 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 113228015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).