5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine

C10H12BrN5 — CID 103518518

IUPAC5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ncc[nH]1
InChIInChI=1S/C10H12BrN5/c1-6(10-14-2-3-15-10)16-9-7(11)4-13-5-8(9)12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyFYQVIZDTEVPUKA-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.32
Rot. Bonds3

About 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103518518) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
PubChem CID103518518
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ncc[nH]1
InChIInChI=1S/C10H12BrN5/c1-6(10-14-2-3-15-10)16-9-7(11)4-13-5-8(9)12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyFYQVIZDTEVPUKA-UHFFFAOYSA-N
XLogP2.32
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine (CID 103518518) is 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine is CC(Nc1c(N)cncc1Br)c1ncc[nH]1.
What is the InChIKey of 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is FYQVIZDTEVPUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6(10-14-2-3-15-10)16-9-7(11)4-13-5-8(9)12/h2-6H,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 282.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).