4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile

C15H13FN2O3 — CID 103174663

IUPAC4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
SMILESCOc1ccnc(COc2ccc(C#N)c(F)c2)c1OC
InChIInChI=1S/C15H13FN2O3/c1-19-14-5-6-18-13(15(14)20-2)9-21-11-4-3-10(8-17)12(16)7-11/h3-7H,9H2,1-2H3
InChIKeyBTJLWHRPKSKNHX-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.69
Rot. Bonds5

About 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile

4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile (PubChem CID 103174663) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
PubChem CID103174663
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
SMILESCOc1ccnc(COc2ccc(C#N)c(F)c2)c1OC
InChIInChI=1S/C15H13FN2O3/c1-19-14-5-6-18-13(15(14)20-2)9-21-11-4-3-10(8-17)12(16)7-11/h3-7H,9H2,1-2H3
InChIKeyBTJLWHRPKSKNHX-UHFFFAOYSA-N
XLogP2.69
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 103173388
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
CID 78952690
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 78952632
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]benzonitrile
CID 103172165
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile (CID 103174663) is 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile is COc1ccnc(COc2ccc(C#N)c(F)c2)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile?
The InChIKey is BTJLWHRPKSKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-19-14-5-6-18-13(15(14)20-2)9-21-11-4-3-10(8-17)12(16)7-11/h3-7H,9H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile?
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile has a molecular weight of 288.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 103174663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).