3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine

C22H19ClF2N2O2 — CID 90415611

IUPAC3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ncc(Cc2ccc(OCC3CC3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C22H19ClF2N2O2/c23-18-3-1-2-17(10-18)19-9-16(12-27-21(19)29-22(24)25)8-15-6-7-20(26-11-15)28-13-14-4-5-14/h1-3,6-7,9-12,14,22H,4-5,8,13H2
InChIKeyABTOYSXYGWEPCZ-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.78
Rot. Bonds8

About 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine

3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine (PubChem CID 90415611) has the molecular formula C22H19ClF2N2O2 and a molecular weight of 416.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
PubChem CID90415611
Molecular FormulaC22H19ClF2N2O2
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ncc(Cc2ccc(OCC3CC3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C22H19ClF2N2O2/c23-18-3-1-2-17(10-18)19-9-16(12-27-21(19)29-22(24)25)8-15-6-7-20(26-11-15)28-13-14-4-5-14/h1-3,6-7,9-12,14,22H,4-5,8,13H2
InChIKeyABTOYSXYGWEPCZ-UHFFFAOYSA-N
XLogP5.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine with MolForge

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Related Compounds

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
CID 150659230
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
CID 141416182
N'-[amino-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]amino]methanimidamide
CID 134447642
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
CID 90440708
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
1-[[5-(3-chlorophenyl)-6-(1-fluoroethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine
CID 163992119
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine (CID 90415611) is 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine is FC(F)Oc1ncc(Cc2ccc(OCC3CC3)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The InChIKey is ABTOYSXYGWEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O2/c23-18-3-1-2-17(10-18)19-9-16(12-27-21(19)29-22(24)25)8-15-6-7-20(26-11-15)28-13-14-4-5-14/h1-3,6-7,9-12,14,22H,4-5,8,13H2.
What are the key properties of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine has a molecular weight of 416.86 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 90415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).