5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid

C9H7ClN4O2 — CID 169462114

IUPAC5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cnc(Cl)cc1C(=O)O
InChIInChI=1S/C9H7ClN4O2/c10-8-4-7(9(15)16)6(5-12-8)2-1-3-13-14-11/h1-2,4-5H,3H2,(H,15,16)
InChIKeyMZRHQXFTOONRTH-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.76
Rot. Bonds4

About 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid

5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid (PubChem CID 169462114) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
PubChem CID169462114
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cnc(Cl)cc1C(=O)O
InChIInChI=1S/C9H7ClN4O2/c10-8-4-7(9(15)16)6(5-12-8)2-1-3-13-14-11/h1-2,4-5H,3H2,(H,15,16)
InChIKeyMZRHQXFTOONRTH-UHFFFAOYSA-N
XLogP2.76
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.76
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
CID 169462111
2-(4-azidobut-1-enyl)-5-chlorobenzoic acid
CID 170485519
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
methyl 5-amino-2-(3-azidoprop-1-enyl)benzoate
CID 169462355

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid?
The IUPAC name of 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid (CID 169462114) is 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid is [N-]=[N+]=NCC=Cc1cnc(Cl)cc1C(=O)O.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid?
The InChIKey is MZRHQXFTOONRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-8-4-7(9(15)16)6(5-12-8)2-1-3-13-14-11/h1-2,4-5H,3H2,(H,15,16).
What are the key properties of 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid?
5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 169462114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).