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

C20H17ClF2N2O — CID 86296953

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine
SMILESCCc1cncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H17ClF2N2O/c1-2-13-6-14(11-24-10-13)7-15-8-18(16-4-3-5-17(21)9-16)19(25-12-15)26-20(22)23/h3-6,8-12,20H,2,7H2,1H3
InChIKeyHWHXDTHBPAPJHV-UHFFFAOYSA-N
MW374.82 g/mol
LogP5.55
Rot. Bonds6

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

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine (PubChem CID 86296953) has the molecular formula C20H17ClF2N2O and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine
PubChem CID86296953
Molecular FormulaC20H17ClF2N2O
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine
SMILESCCc1cncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H17ClF2N2O/c1-2-13-6-14(11-24-10-13)7-15-8-18(16-4-3-5-17(21)9-16)19(25-12-15)26-20(22)23/h3-6,8-12,20H,2,7H2,1H3
InChIKeyHWHXDTHBPAPJHV-UHFFFAOYSA-N
XLogP5.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine (CID 86296953) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine is CCc1cncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine?
The InChIKey is HWHXDTHBPAPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O/c1-2-13-6-14(11-24-10-13)7-15-8-18(16-4-3-5-17(21)9-16)19(25-12-15)26-20(22)23/h3-6,8-12,20H,2,7H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine has a molecular weight of 374.82 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(5-ethyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 86296953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).