3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine

C9H10ClN5 — CID 170486324

IUPAC3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine
SMILES[N-]=[N+]=NCCC=Cc1c(N)ccnc1Cl
InChIInChI=1S/C9H10ClN5/c10-9-7(8(11)4-6-13-9)3-1-2-5-14-15-12/h1,3-4,6H,2,5H2,(H2,11,13)
InChIKeyUDENEBNEUFKVBP-UHFFFAOYSA-N
MW223.67 g/mol
LogP3.03
Rot. Bonds4

About 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine

3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine (PubChem CID 170486324) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound Name3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine
PubChem CID170486324
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine
SMILES[N-]=[N+]=NCCC=Cc1c(N)ccnc1Cl
InChIInChI=1S/C9H10ClN5/c10-9-7(8(11)4-6-13-9)3-1-2-5-14-15-12/h1,3-4,6H,2,5H2,(H2,11,13)
InChIKeyUDENEBNEUFKVBP-UHFFFAOYSA-N
XLogP3.03
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine?
The IUPAC name of 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine (CID 170486324) is 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine.
What is the SMILES notation for 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine?
The canonical SMILES for 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine is [N-]=[N+]=NCCC=Cc1c(N)ccnc1Cl.
What is the InChIKey of 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine?
The InChIKey is UDENEBNEUFKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-9-7(8(11)4-6-13-9)3-1-2-5-14-15-12/h1,3-4,6H,2,5H2,(H2,11,13).
What are the key properties of 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine?
3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azidobut-1-enyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 170486324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).