4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile

C13H10FN3O — CID 55156098

IUPAC4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(F)ccc1Nc1ccnc(C#N)c1
InChIInChI=1S/C13H10FN3O/c1-18-13-6-9(14)2-3-12(13)17-10-4-5-16-11(7-10)8-15/h2-7H,1H3,(H,16,17)
InChIKeyBLBIFVRLAKYMES-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.84
Rot. Bonds3

About 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile

4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile (PubChem CID 55156098) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
PubChem CID55156098
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1cc(F)ccc1Nc1ccnc(C#N)c1
InChIInChI=1S/C13H10FN3O/c1-18-13-6-9(14)2-3-12(13)17-10-4-5-16-11(7-10)8-15/h2-7H,1H3,(H,16,17)
InChIKeyBLBIFVRLAKYMES-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

Analyze 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile 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

4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
CID 62926532
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
CID 62937273
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
CID 113368000
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55234359
(4-fluoro-2-methoxyphenyl)cyanamide
CID 62482272
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
3-bromo-4-(4-fluoro-2-methoxyanilino)benzonitrile
CID 82798283
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile (CID 55156098) is 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile is COc1cc(F)ccc1Nc1ccnc(C#N)c1.
What is the InChIKey of 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile?
The InChIKey is BLBIFVRLAKYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-13-6-9(14)2-3-12(13)17-10-4-5-16-11(7-10)8-15/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile?
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile 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-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 55156098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).