2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine

C22H17FN4O2 — CID 102169169

IUPAC2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2c(-c3cccnc3OC)ccnc2-c2ccc(F)nc2)cn1
InChIInChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)20-16(17-4-3-10-25-22(17)29-2)9-11-24-21(20)15-5-7-18(23)26-13-15/h3-13H,1-2H3
InChIKeyWSXLLOJPIHKGOI-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.42
Rot. Bonds5

About 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine

2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine (PubChem CID 102169169) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
PubChem CID102169169
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2c(-c3cccnc3OC)ccnc2-c2ccc(F)nc2)cn1
InChIInChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)20-16(17-4-3-10-25-22(17)29-2)9-11-24-21(20)15-5-7-18(23)26-13-15/h3-13H,1-2H3
InChIKeyWSXLLOJPIHKGOI-UHFFFAOYSA-N
XLogP4.42
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine with MolForge

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Related Compounds

7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
6-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058375
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
2-Methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
CID 154644621
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-3-ylpyridine-3-carbonitrile
CID 154644624
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644710
4-(4-Fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
CID 154644727
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine (CID 102169169) is 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine is COc1ccc(-c2c(-c3cccnc3OC)ccnc2-c2ccc(F)nc2)cn1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine?
The InChIKey is WSXLLOJPIHKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)20-16(17-4-3-10-25-22(17)29-2)9-11-24-21(20)15-5-7-18(23)26-13-15/h3-13H,1-2H3.
What are the key properties of 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine?
2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine has a molecular weight of 388.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine is sourced from PubChem (CID 102169169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).