2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine

C13H13BrClN3 — CID 104924061

IUPAC2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
SMILESCC(Nc1cc(N)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3/c1-8(9-2-4-10(14)5-3-9)17-13-7-11(16)6-12(15)18-13/h2-8H,1H3,(H3,16,17,18)
InChIKeyOCXJYNIIFBNFEO-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.25
Rot. Bonds3

About 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine

2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine (PubChem CID 104924061) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
PubChem CID104924061
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
SMILESCC(Nc1cc(N)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3/c1-8(9-2-4-10(14)5-3-9)17-13-7-11(16)6-12(15)18-13/h2-8H,1H3,(H3,16,17,18)
InChIKeyOCXJYNIIFBNFEO-UHFFFAOYSA-N
XLogP4.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine (CID 104924061) is 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine is CC(Nc1cc(N)cc(Cl)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine?
The InChIKey is OCXJYNIIFBNFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8(9-2-4-10(14)5-3-9)17-13-7-11(16)6-12(15)18-13/h2-8H,1H3,(H3,16,17,18).
What are the key properties of 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine?
2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine has a molecular weight of 326.63 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine is sourced from PubChem (CID 104924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).