propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate

C15H15ClN2O2 — CID 23462965

IUPACpropyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(-c2cccnc2C)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-7-20-15(19)13-8-11(9-18-14(13)16)12-5-4-6-17-10(12)2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyFXQRYNKCPUQWBQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.67
Rot. Bonds4

About propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate

propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate (PubChem CID 23462965) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate
PubChem CID23462965
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namepropyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(-c2cccnc2C)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-7-20-15(19)13-8-11(9-18-14(13)16)12-5-4-6-17-10(12)2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyFXQRYNKCPUQWBQ-UHFFFAOYSA-N
XLogP3.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate (CID 23462965) is propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate is CCCOC(=O)c1cc(-c2cccnc2C)cnc1Cl.
What is the InChIKey of propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate?
The InChIKey is FXQRYNKCPUQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-7-20-15(19)13-8-11(9-18-14(13)16)12-5-4-6-17-10(12)2/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate?
propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloro-5-(2-methyl-3-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 23462965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).