4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile

C13H7F4N3 — CID 107644287

IUPAC4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C13H7F4N3/c14-9-4-10(15)12(17)13(11(9)16)20-6-7-1-2-19-8(3-7)5-18/h1-4,20H,6H2
InChIKeyYNUQZMOBJZSDBE-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.12
Rot. Bonds3

About 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile

4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 107644287) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
PubChem CID107644287
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C13H7F4N3/c14-9-4-10(15)12(17)13(11(9)16)20-6-7-1-2-19-8(3-7)5-18/h1-4,20H,6H2
InChIKeyYNUQZMOBJZSDBE-UHFFFAOYSA-N
XLogP3.12
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(2,3,5,6-tetrafluoroanilino)methyl]benzonitrile
CID 107643632
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile (CID 107644287) is 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2c(F)c(F)cc(F)c2F)ccn1.
What is the InChIKey of 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is YNUQZMOBJZSDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-9-4-10(15)12(17)13(11(9)16)20-6-7-1-2-19-8(3-7)5-18/h1-4,20H,6H2.
What are the key properties of 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile?
4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 281.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107644287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).