3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine

C19H15ClF2N2O2 — CID 135235814

IUPAC3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H15ClF2N2O2/c1-19(21,22)12-5-7-13(8-6-12)26-18-14(4-3-9-24-18)15-10-23-11-16(20)17(15)25-2/h3-11H,1-2H3
InChIKeyQYJXMJISIUEIBL-UHFFFAOYSA-N
MW376.79 g/mol
LogP5.71
Rot. Bonds5

About 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine

3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine (PubChem CID 135235814) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
PubChem CID135235814
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H15ClF2N2O2/c1-19(21,22)12-5-7-13(8-6-12)26-18-14(4-3-9-24-18)15-10-23-11-16(20)17(15)25-2/h3-11H,1-2H3
InChIKeyQYJXMJISIUEIBL-UHFFFAOYSA-N
XLogP5.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.79
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-[1-(3-Chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263339
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetate
CID 3652861
2-(2-Chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44134038
Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl
CID 10287897
Rac-3-((2-chlorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45273132
2-(2-Chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 46230756
(4S,6S)-4-[5-(3-chloropyridin-2-yl)oxy-2-fluorophenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90373030
2-(2-Chlorophenoxy)-5-(trifluoromethyl)pyridine
CID 894634
2-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetonitrile
CID 2773895
2-Chloro-3-[3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
CID 49790051
2-(3-Pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 155545788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The IUPAC name of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine (CID 135235814) is 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine.
What is the SMILES notation for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The canonical SMILES for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine is COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.
What is the InChIKey of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The InChIKey is QYJXMJISIUEIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c1-19(21,22)12-5-7-13(8-6-12)26-18-14(4-3-9-24-18)15-10-23-11-16(20)17(15)25-2/h3-11H,1-2H3.
What are the key properties of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine has a molecular weight of 376.79 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine is sourced from PubChem (CID 135235814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).