4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile

C13H10FN3O — CID 104849775

IUPAC4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Nc1cccc(F)n1
InChIInChI=1S/C13H10FN3O/c1-18-11-7-9(8-15)5-6-10(11)16-13-4-2-3-12(14)17-13/h2-7H,1H3,(H,16,17)
InChIKeyUHPJYTOUUACMQA-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.84
Rot. Bonds3

About 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile

4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile (PubChem CID 104849775) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
PubChem CID104849775
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Nc1cccc(F)n1
InChIInChI=1S/C13H10FN3O/c1-18-11-7-9(8-15)5-6-10(11)16-13-4-2-3-12(14)17-13/h2-7H,1H3,(H,16,17)
InChIKeyUHPJYTOUUACMQA-UHFFFAOYSA-N
XLogP2.84
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile 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

3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
CID 104850186
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80904650
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847940
3-methoxy-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile
CID 150120658
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
3-bromo-4-(4-fluoro-2-methoxyanilino)benzonitrile
CID 82798283
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847934

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile (CID 104849775) is 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1Nc1cccc(F)n1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The InChIKey is UHPJYTOUUACMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-11-7-9(8-15)5-6-10(11)16-13-4-2-3-12(14)17-13/h2-7H,1H3,(H,16,17).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104849775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).