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

C22H17FN4O2 — CID 138963270

IUPAC2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2ccnc(-c3ccc(F)nc3)c2-c2cccnc2OC)cn1
InChIInChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)16-9-11-24-21(15-5-7-18(23)26-13-15)20(16)17-4-3-10-25-22(17)29-2/h3-13H,1-2H3
InChIKeySUMDNRNMRROASH-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.42
Rot. Bonds5

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

2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine (PubChem CID 138963270) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
PubChem CID138963270
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccc(-c2ccnc(-c3ccc(F)nc3)c2-c2cccnc2OC)cn1
InChIInChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)16-9-11-24-21(15-5-7-18(23)26-13-15)20(16)17-4-3-10-25-22(17)29-2/h3-13H,1-2H3
InChIKeySUMDNRNMRROASH-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)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine with MolForge

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Related Compounds

2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
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
6'-Methoxy-2,3'-bipyridyl
CID 10899365
7-(3-Methoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434751

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine (CID 138963270) is 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine is COc1ccc(-c2ccnc(-c3ccc(F)nc3)c2-c2cccnc2OC)cn1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine?
The InChIKey is SUMDNRNMRROASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-28-19-8-6-14(12-27-19)16-9-11-24-21(15-5-7-18(23)26-13-15)20(16)17-4-3-10-25-22(17)29-2/h3-13H,1-2H3.
What are the key properties of 2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine?
2-(6-fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(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)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine is sourced from PubChem (CID 138963270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).