2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine

C13H18ClNO3 — CID 175599870

IUPAC2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
SMILESCOc1cnc(Cl)cc1C1(C)OC(C)C(C)(C)O1
InChIInChI=1S/C13H18ClNO3/c1-8-12(2,3)18-13(4,17-8)9-6-11(14)15-7-10(9)16-5/h6-8H,1-5H3
InChIKeyFKCNELDKWFRICL-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine

2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine (PubChem CID 175599870) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
PubChem CID175599870
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine
SMILESCOc1cnc(Cl)cc1C1(C)OC(C)C(C)(C)O1
InChIInChI=1S/C13H18ClNO3/c1-8-12(2,3)18-13(4,17-8)9-6-11(14)15-7-10(9)16-5/h6-8H,1-5H3
InChIKeyFKCNELDKWFRICL-UHFFFAOYSA-N
XLogP3.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.13
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 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The IUPAC name of 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine (CID 175599870) is 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine.
What is the SMILES notation for 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The canonical SMILES for 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine is COc1cnc(Cl)cc1C1(C)OC(C)C(C)(C)O1.
What is the InChIKey of 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
The InChIKey is FKCNELDKWFRICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8-12(2,3)18-13(4,17-8)9-6-11(14)15-7-10(9)16-5/h6-8H,1-5H3.
What are the key properties of 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine?
2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine has a molecular weight of 271.74 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)pyridine is sourced from PubChem (CID 175599870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).