2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

C11H12Cl2N2O2 — CID 114918773

IUPAC2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6-9(2-3-17-6)15-11(16)7-4-10(13)14-5-8(7)12/h4-6,9H,2-3H2,1H3,(H,15,16)
InChIKeyLHCDRGXGLBMMKQ-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.30
Rot. Bonds2

About 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide

2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (PubChem CID 114918773) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
PubChem CID114918773
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6-9(2-3-17-6)15-11(16)7-4-10(13)14-5-8(7)12/h4-6,9H,2-3H2,1H3,(H,15,16)
InChIKeyLHCDRGXGLBMMKQ-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (CID 114918773) is 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is CC1OCCC1NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is LHCDRGXGLBMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-6-9(2-3-17-6)15-11(16)7-4-10(13)14-5-8(7)12/h4-6,9H,2-3H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114918773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).