2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile

C15H14FN3O — CID 82893368

IUPAC2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1cc(C)nc(CNc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H14FN3O/c1-10-5-14(20-2)7-13(19-10)9-18-12-3-4-15(16)11(6-12)8-17/h3-7,18H,9H2,1-2H3
InChIKeyHMKUJMYOQNQOAZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile

2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile (PubChem CID 82893368) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
PubChem CID82893368
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCOc1cc(C)nc(CNc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H14FN3O/c1-10-5-14(20-2)7-13(19-10)9-18-12-3-4-15(16)11(6-12)8-17/h3-7,18H,9H2,1-2H3
InChIKeyHMKUJMYOQNQOAZ-UHFFFAOYSA-N
XLogP3.02
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893305
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
4-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893201
4-[(2-fluoro-4-methoxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107789219
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 113253697
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893372
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316969
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 81274208

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile (CID 82893368) is 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile is COc1cc(C)nc(CNc2ccc(F)c(C#N)c2)c1.
What is the InChIKey of 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is HMKUJMYOQNQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10-5-14(20-2)7-13(19-10)9-18-12-3-4-15(16)11(6-12)8-17/h3-7,18H,9H2,1-2H3.
What are the key properties of 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile?
2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile has a molecular weight of 271.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 82893368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).