3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine

C18H14ClFN2O — CID 151252973

IUPAC3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
SMILESCOc1ncc(Cc2cccnc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O/c1-23-18-15(14-4-5-17(20)16(19)9-14)8-13(11-22-18)7-12-3-2-6-21-10-12/h2-6,8-11H,7H2,1H3
InChIKeyNSSMNXPKJXVJRX-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.54
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine

3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine (PubChem CID 151252973) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
PubChem CID151252973
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
SMILESCOc1ncc(Cc2cccnc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O/c1-23-18-15(14-4-5-17(20)16(19)9-14)8-13(11-22-18)7-12-3-2-6-21-10-12/h2-6,8-11H,7H2,1H3
InChIKeyNSSMNXPKJXVJRX-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine 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-[(3-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263326
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330
2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263336
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263337
2-[1-(3-Chlorophenyl)propoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263338
2-[1-(3-Chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263339
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
13-Chloro-2-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10094317
4-(3-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983838
US10155760, Example 193
CID 118429814
(2S)-1-[[5-(2-chloro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429890
2-Methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
CID 154644621

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine (CID 151252973) is 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine is COc1ncc(Cc2cccnc2)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The InChIKey is NSSMNXPKJXVJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-23-18-15(14-4-5-17(20)16(19)9-14)8-13(11-22-18)7-12-3-2-6-21-10-12/h2-6,8-11H,7H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine has a molecular weight of 328.77 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine is sourced from PubChem (CID 151252973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).