3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine

C19H21Cl2NO3 — CID 19774205

IUPAC3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine
SMILESCOC1(C)OC(c2ccc(Cl)cc2Cl)C(c2cccnc2)(C(C)C)O1
InChIInChI=1S/C19H21Cl2NO3/c1-12(2)19(13-6-5-9-22-11-13)17(24-18(3,23-4)25-19)15-8-7-14(20)10-16(15)21/h5-12,17H,1-4H3
InChIKeyALESTTGFURXXNR-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.35
Rot. Bonds4

About 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine

3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine (PubChem CID 19774205) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine
PubChem CID19774205
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine
SMILESCOC1(C)OC(c2ccc(Cl)cc2Cl)C(c2cccnc2)(C(C)C)O1
InChIInChI=1S/C19H21Cl2NO3/c1-12(2)19(13-6-5-9-22-11-13)17(24-18(3,23-4)25-19)15-8-7-14(20)10-16(15)21/h5-12,17H,1-4H3
InChIKeyALESTTGFURXXNR-UHFFFAOYSA-N
XLogP5.35
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine (CID 19774205) is 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine is COC1(C)OC(c2ccc(Cl)cc2Cl)C(c2cccnc2)(C(C)C)O1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine?
The InChIKey is ALESTTGFURXXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-12(2)19(13-6-5-9-22-11-13)17(24-18(3,23-4)25-19)15-8-7-14(20)10-16(15)21/h5-12,17H,1-4H3.
What are the key properties of 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine?
3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine has a molecular weight of 382.29 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-2-methoxy-2-methyl-4-propan-2-yl-1,3-dioxolan-4-yl]pyridine is sourced from PubChem (CID 19774205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).