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

C15H14FN3O — CID 107880215

IUPAC2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCc2ccc(F)c(C#N)c2)ccn1
InChIInChI=1S/C15H14FN3O/c1-20-15-7-12(4-5-19-15)10-18-9-11-2-3-14(16)13(6-11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyBPTSYPZGWAGGQN-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.39
Rot. Bonds5

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

2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile (PubChem CID 107880215) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
PubChem CID107880215
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCc2ccc(F)c(C#N)c2)ccn1
InChIInChI=1S/C15H14FN3O/c1-20-15-7-12(4-5-19-15)10-18-9-11-2-3-14(16)13(6-11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyBPTSYPZGWAGGQN-UHFFFAOYSA-N
XLogP2.39
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
2-fluoro-5-[[2-(4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 107880030
2-bromo-3-fluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 107533643
5-[(3,3-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107880474
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
5-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-2-fluorobenzonitrile
CID 107880592
2-fluoro-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]benzonitrile
CID 107936204
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
N'-hydroxy-4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77030776
2-fluoro-5-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 103860002
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile (CID 107880215) is 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile is COc1cc(CNCc2ccc(F)c(C#N)c2)ccn1.
What is the InChIKey of 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile?
The InChIKey is BPTSYPZGWAGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-15-7-12(4-5-19-15)10-18-9-11-2-3-14(16)13(6-11)8-17/h2-7,18H,9-10H2,1H3.
What are the key properties of 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile?
2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile has a molecular weight of 271.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107880215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).