4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol

C22H19ClF2N2O2 — CID 137306851

IUPAC4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2OC(F)F)cc(N2CCCC2)n1
InChIInChI=1S/C22H19ClF2N2O2/c23-15-7-8-19(28)17(13-15)18-11-14(12-21(26-18)27-9-3-4-10-27)16-5-1-2-6-20(16)29-22(24)25/h1-2,5-8,11-13,22,28H,3-4,9-10H2
InChIKeyZDHMNNWECBBQDF-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.98
Rot. Bonds5

About 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol

4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol (PubChem CID 137306851) has the molecular formula C22H19ClF2N2O2 and a molecular weight of 416.86 g/mol. Its IUPAC name is 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol
PubChem CID137306851
Molecular FormulaC22H19ClF2N2O2
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2OC(F)F)cc(N2CCCC2)n1
InChIInChI=1S/C22H19ClF2N2O2/c23-15-7-8-19(28)17(13-15)18-11-14(12-21(26-18)27-9-3-4-10-27)16-5-1-2-6-20(16)29-22(24)25/h1-2,5-8,11-13,22,28H,3-4,9-10H2
InChIKeyZDHMNNWECBBQDF-UHFFFAOYSA-N
XLogP5.98
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[4-(2-chlorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]phenol
CID 137306828
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137290561
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide
CID 137290664
1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137290626
4-bromo-2-[4-(2,3-difluorophenyl)-6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]phenol
CID 137307226
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597489
2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
CID 8966170
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol?
The IUPAC name of 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol (CID 137306851) is 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol.
What is the SMILES notation for 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol?
The canonical SMILES for 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol is Oc1ccc(Cl)cc1-c1cc(-c2ccccc2OC(F)F)cc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol?
The InChIKey is ZDHMNNWECBBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O2/c23-15-7-8-19(28)17(13-15)18-11-14(12-21(26-18)27-9-3-4-10-27)16-5-1-2-6-20(16)29-22(24)25/h1-2,5-8,11-13,22,28H,3-4,9-10H2.
What are the key properties of 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol?
4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol has a molecular weight of 416.86 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137306851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).