4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile

C18H12FN3O — CID 154644710

IUPAC4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C18H12FN3O/c1-23-18-15(11-20)14(12-5-7-13(19)8-6-12)10-17(22-18)16-4-2-3-9-21-16/h2-10H,1H3
InChIKeyOBPKAOGZDKORTR-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 154644710) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID154644710
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C18H12FN3O/c1-23-18-15(11-20)14(12-5-7-13(19)8-6-12)10-17(22-18)16-4-2-3-9-21-16/h2-10H,1H3
InChIKeyOBPKAOGZDKORTR-UHFFFAOYSA-N
XLogP3.83
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
Caerulomycinonitrile
CID 13586798
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile (CID 154644710) is 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile is COc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is OBPKAOGZDKORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c1-23-18-15(11-20)14(12-5-7-13(19)8-6-12)10-17(22-18)16-4-2-3-9-21-16/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 305.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 154644710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).