2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile

C14H11F2N3O — CID 107933778

IUPAC2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccc(CNc2ccc(C#N)c(F)c2F)cn1
InChIInChI=1S/C14H11F2N3O/c1-20-12-5-2-9(8-19-12)7-18-11-4-3-10(6-17)13(15)14(11)16/h2-5,8,18H,7H2,1H3
InChIKeyDBWQJRVYNVWAHJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.85
Rot. Bonds4

About 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile

2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile (PubChem CID 107933778) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
PubChem CID107933778
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ccc(CNc2ccc(C#N)c(F)c2F)cn1
InChIInChI=1S/C14H11F2N3O/c1-20-12-5-2-9(8-19-12)7-18-11-4-3-10(6-17)13(15)14(11)16/h2-5,8,18H,7H2,1H3
InChIKeyDBWQJRVYNVWAHJ-UHFFFAOYSA-N
XLogP2.85
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
2-[(6-methoxy-3-pyridinyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60710968
2-bromo-3-fluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 107533643
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114936305
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile (CID 107933778) is 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile is COc1ccc(CNc2ccc(C#N)c(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
The InChIKey is DBWQJRVYNVWAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-20-12-5-2-9(8-19-12)7-18-11-4-3-10(6-17)13(15)14(11)16/h2-5,8,18H,7H2,1H3.
What are the key properties of 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile?
2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile has a molecular weight of 275.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 107933778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).