5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C20H15ClF2N2O2 — CID 71086612

IUPAC5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OCCO3)cn1
InChIInChI=1S/C20H15ClF2N2O2/c21-15-9-19-18(26-6-7-27-19)8-13(15)12-4-5-20(24-10-12)25-11-14-16(22)2-1-3-17(14)23/h1-5,8-10H,6-7,11H2,(H,24,25)
InChIKeyGLYLTGABZNXPCI-UHFFFAOYSA-N
MW388.80 g/mol
LogP5.06
Rot. Bonds4

About 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 71086612) has the molecular formula C20H15ClF2N2O2 and a molecular weight of 388.80 g/mol. Its IUPAC name is 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID71086612
Molecular FormulaC20H15ClF2N2O2
Molecular Weight388.80 g/mol
Exact Mass388.08
IUPAC Name5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OCCO3)cn1
InChIInChI=1S/C20H15ClF2N2O2/c21-15-9-19-18(26-6-7-27-19)8-13(15)12-4-5-20(24-10-12)25-11-14-16(22)2-1-3-17(14)23/h1-5,8-10H,6-7,11H2,(H,24,25)
InChIKeyGLYLTGABZNXPCI-UHFFFAOYSA-N
XLogP5.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.80
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 71086612) is 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OCCO3)cn1.
What is the InChIKey of 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is GLYLTGABZNXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O2/c21-15-9-19-18(26-6-7-27-19)8-13(15)12-4-5-20(24-10-12)25-11-14-16(22)2-1-3-17(14)23/h1-5,8-10H,6-7,11H2,(H,24,25).
What are the key properties of 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 388.80 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71086612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).