3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile

C19H13F2N3 — CID 59799018

IUPAC3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C19H13F2N3/c20-15-3-1-13(2-4-15)9-14-10-18(19(11-22)23-12-14)24-17-7-5-16(21)6-8-17/h1-8,10,12,24H,9H2
InChIKeyBXFSDMZENYSKKS-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.57
Rot. Bonds4

About 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile

3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile (PubChem CID 59799018) has the molecular formula C19H13F2N3 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile
PubChem CID59799018
Molecular FormulaC19H13F2N3
Molecular Weight321.33 g/mol
Exact Mass321.11
IUPAC Name3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C19H13F2N3/c20-15-3-1-13(2-4-15)9-14-10-18(19(11-22)23-12-14)24-17-7-5-16(21)6-8-17/h1-8,10,12,24H,9H2
InChIKeyBXFSDMZENYSKKS-UHFFFAOYSA-N
XLogP4.57
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]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

2,3-Diphenylpyrazine
CID 243907
2,5-Diphenylpyrazine
CID 220958
4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-pyridinecarbonitrile
CID 44138706
3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
CID 134132646
2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
CID 44139234
3-Phenyl-2-(pyridin-2-yl)prop-2-enenitrile
CID 6065026
2-Fluoro-5-(5-propylpyridin-2-yl)aniline
CID 837868
4,4-Bis(4-fluorophenyl)-2-pyrazinyl-2-imidazoline
CID 9923839
2-(4-Cyano-2-pyridyl)-4,4-bis(4-fluorophenyl)-2-imidazoline
CID 9946965
6-[4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)-1-butynyl]-3-pyridinamine
CID 10086348
3-Fluoro-5-(3-pyridin-2-yl-pyrrol-1-yl)-benzonitrile
CID 10171512
3-(4-Cyanobenzylidene)anabaseine
CID 11492792

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile (CID 59799018) is 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile is N#Cc1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile?
The InChIKey is BXFSDMZENYSKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3/c20-15-3-1-13(2-4-15)9-14-10-18(19(11-22)23-12-14)24-17-7-5-16(21)6-8-17/h1-8,10,12,24H,9H2.
What are the key properties of 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile?
3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile has a molecular weight of 321.33 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 59799018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).