3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile

C13H8F3N3 — CID 62895867

IUPAC3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N3/c14-9-3-4-10(13(16)12(9)15)19-7-8-2-1-5-18-11(8)6-17/h1-5,19H,7H2
InChIKeyLQBZWRMRKNMRST-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.98
Rot. Bonds3

About 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile

3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 62895867) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
PubChem CID62895867
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N3/c14-9-3-4-10(13(16)12(9)15)19-7-8-2-1-5-18-11(8)6-17/h1-5,19H,7H2
InChIKeyLQBZWRMRKNMRST-UHFFFAOYSA-N
XLogP2.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
3-[(4-bromo-2,5-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 107610894
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
3-[(3-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 55128348
3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile (CID 62895867) is 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNc1ccc(F)c(F)c1F.
What is the InChIKey of 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is LQBZWRMRKNMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-9-3-4-10(13(16)12(9)15)19-7-8-2-1-5-18-11(8)6-17/h1-5,19H,7H2.
What are the key properties of 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile?
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 263.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).