4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile

C20H15F2N3O2 — CID 143595999

IUPAC4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C20H15F2N3O2/c1-26-14-4-5-15(19(8-14)27-2)16-11-24-10-12(9-23)20(16)25-18-6-3-13(21)7-17(18)22/h3-8,10-11H,1-2H3,(H,24,25)
InChIKeyYCAJRDADOBCVEG-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.66
Rot. Bonds5

About 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile

4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 143595999) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID143595999
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C20H15F2N3O2/c1-26-14-4-5-15(19(8-14)27-2)16-11-24-10-12(9-23)20(16)25-18-6-3-13(21)7-17(18)22/h3-8,10-11H,1-2H3,(H,24,25)
InChIKeyYCAJRDADOBCVEG-UHFFFAOYSA-N
XLogP4.66
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
CID 81306553
2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
CID 155289999
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
4-(2,5-dichloroanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24860269
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
2-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178357
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196138
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile (CID 143595999) is 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc(F)cc2F)c(OC)c1.
What is the InChIKey of 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YCAJRDADOBCVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-26-14-4-5-15(19(8-14)27-2)16-11-24-10-12(9-23)20(16)25-18-6-3-13(21)7-17(18)22/h3-8,10-11H,1-2H3,(H,24,25).
What are the key properties of 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile?
4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 367.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-5-(2,4-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 143595999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).