5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine

C18H17ClF2N2O2 — CID 166020795

IUPAC5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine
SMILESC[C@@]1(c2ccc(Cl)cn2)Oc2cccc(C3CCNCC3(F)F)c2O1
InChIInChI=1S/C18H17ClF2N2O2/c1-17(15-6-5-11(19)9-23-15)24-14-4-2-3-12(16(14)25-17)13-7-8-22-10-18(13,20)21/h2-6,9,13,22H,7-8,10H2,1H3/t13?,17-/m1/s1
InChIKeyHDUQMRXZESRDCB-LRHAYUFXSA-N
MW366.80 g/mol
LogP4.09
Rot. Bonds2

About 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine

5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine (PubChem CID 166020795) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine
PubChem CID166020795
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine
SMILESC[C@@]1(c2ccc(Cl)cn2)Oc2cccc(C3CCNCC3(F)F)c2O1
InChIInChI=1S/C18H17ClF2N2O2/c1-17(15-6-5-11(19)9-23-15)24-14-4-2-3-12(16(14)25-17)13-7-8-22-10-18(13,20)21/h2-6,9,13,22H,7-8,10H2,1H3/t13?,17-/m1/s1
InChIKeyHDUQMRXZESRDCB-LRHAYUFXSA-N
XLogP4.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine?
The IUPAC name of 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine (CID 166020795) is 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine?
The canonical SMILES for 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine is C[C@@]1(c2ccc(Cl)cn2)Oc2cccc(C3CCNCC3(F)F)c2O1.
What is the InChIKey of 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine?
The InChIKey is HDUQMRXZESRDCB-LRHAYUFXSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-17(15-6-5-11(19)9-23-15)24-14-4-2-3-12(16(14)25-17)13-7-8-22-10-18(13,20)21/h2-6,9,13,22H,7-8,10H2,1H3/t13?,17-/m1/s1.
What are the key properties of 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine?
5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine has a molecular weight of 366.80 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2R)-4-(3,3-difluoropiperidin-4-yl)-2-methyl-1,3-benzodioxol-2-yl]pyridine is sourced from PubChem (CID 166020795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).