5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine

C19H12Cl2F2N2O2 — CID 71086592

IUPAC5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine
SMILESFC1(F)Oc2cc(Cl)c(-c3ccc(NCc4ccccc4Cl)nc3)cc2O1
InChIInChI=1S/C19H12Cl2F2N2O2/c20-14-4-2-1-3-12(14)10-25-18-6-5-11(9-24-18)13-7-16-17(8-15(13)21)27-19(22,23)26-16/h1-9H,10H2,(H,24,25)
InChIKeyVBUOYDRHEOUCES-UHFFFAOYSA-N
MW409.22 g/mol
LogP5.99
Rot. Bonds4

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine (PubChem CID 71086592) has the molecular formula C19H12Cl2F2N2O2 and a molecular weight of 409.22 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine
PubChem CID71086592
Molecular FormulaC19H12Cl2F2N2O2
Molecular Weight409.22 g/mol
Exact Mass408.02
IUPAC Name5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine
SMILESFC1(F)Oc2cc(Cl)c(-c3ccc(NCc4ccccc4Cl)nc3)cc2O1
InChIInChI=1S/C19H12Cl2F2N2O2/c20-14-4-2-1-3-12(14)10-25-18-6-5-11(9-24-18)13-7-16-17(8-15(13)21)27-19(22,23)26-16/h1-9H,10H2,(H,24,25)
InChIKeyVBUOYDRHEOUCES-UHFFFAOYSA-N
XLogP5.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.22
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine (CID 71086592) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine is FC1(F)Oc2cc(Cl)c(-c3ccc(NCc4ccccc4Cl)nc3)cc2O1.
What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The InChIKey is VBUOYDRHEOUCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N2O2/c20-14-4-2-1-3-12(14)10-25-18-6-5-11(9-24-18)13-7-16-17(8-15(13)21)27-19(22,23)26-16/h1-9H,10H2,(H,24,25).
What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine has a molecular weight of 409.22 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71086592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).