5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine

C10H14BrN3 — CID 103518468

IUPAC5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
SMILESC=CCC(C)Nc1c(N)cncc1Br
InChIInChI=1S/C10H14BrN3/c1-3-4-7(2)14-10-8(11)5-13-6-9(10)12/h3,5-7H,1,4,12H2,2H3,(H,13,14)
InChIKeyFOHRICCNWNKHOE-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.80
Rot. Bonds4

About 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine

5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine (PubChem CID 103518468) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
PubChem CID103518468
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
SMILESC=CCC(C)Nc1c(N)cncc1Br
InChIInChI=1S/C10H14BrN3/c1-3-4-7(2)14-10-8(11)5-13-6-9(10)12/h3,5-7H,1,4,12H2,2H3,(H,13,14)
InChIKeyFOHRICCNWNKHOE-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine (CID 103518468) is 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine is C=CCC(C)Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine?
The InChIKey is FOHRICCNWNKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-3-4-7(2)14-10-8(11)5-13-6-9(10)12/h3,5-7H,1,4,12H2,2H3,(H,13,14).
What are the key properties of 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine?
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine has a molecular weight of 256.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 103518468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).