5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide

C15H13ClN2O4 — CID 59730008

IUPAC5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c16-11-7-9(15-20-5-6-21-15)1-4-13(11)22-10-2-3-12(14(17)19)18-8-10/h1-4,7-8,15H,5-6H2,(H2,17,19)
InChIKeyXJMAPUBUWQHPIK-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.67
Rot. Bonds4

About 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide

5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide (PubChem CID 59730008) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide
PubChem CID59730008
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2Cl)cn1
InChIInChI=1S/C15H13ClN2O4/c16-11-7-9(15-20-5-6-21-15)1-4-13(11)22-10-2-3-12(14(17)19)18-8-10/h1-4,7-8,15H,5-6H2,(H2,17,19)
InChIKeyXJMAPUBUWQHPIK-UHFFFAOYSA-N
XLogP2.67
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide (CID 59730008) is 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide is NC(=O)c1ccc(Oc2ccc(C3OCCO3)cc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide?
The InChIKey is XJMAPUBUWQHPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-11-7-9(15-20-5-6-21-15)1-4-13(11)22-10-2-3-12(14(17)19)18-8-10/h1-4,7-8,15H,5-6H2,(H2,17,19).
What are the key properties of 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide?
5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide has a molecular weight of 320.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(1,3-dioxolan-2-yl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 59730008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).