(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate

C15H10ClN3O3 — CID 2105651

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl
InChIInChI=1S/C15H10ClN3O3/c16-13-11(7-4-8-17-13)15(20)21-9-12-18-19-14(22-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMJYFVVXEEBEVJK-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.14
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate (PubChem CID 2105651) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
PubChem CID2105651
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl
InChIInChI=1S/C15H10ClN3O3/c16-13-11(7-4-8-17-13)15(20)21-9-12-18-19-14(22-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMJYFVVXEEBEVJK-UHFFFAOYSA-N
XLogP3.14
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
Benzyl 2-chloropyridine-3-carboxylate
CID 2111911
2-Chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
CID 2358682
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2086763
(2-Chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2333837
2-Oxo-2-phenylethyl 2-chloropyridine-3-carboxylate
CID 2459480
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate
CID 2997909
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate
CID 7867559

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate (CID 2105651) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate?
The InChIKey is MJYFVVXEEBEVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-13-11(7-4-8-17-13)15(20)21-9-12-18-19-14(22-12)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate has a molecular weight of 315.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2105651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).