2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile

C13H7ClF3N3 — CID 102715383

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H7ClF3N3/c14-11-5-9(13(15,16)17)6-12(20-11)19-10-4-2-1-3-8(10)7-18/h1-6H,(H,19,20)
InChIKeyYEGSKBZMZFWZBW-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.37
Rot. Bonds2

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 102715383) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
PubChem CID102715383
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H7ClF3N3/c14-11-5-9(13(15,16)17)6-12(20-11)19-10-4-2-1-3-8(10)7-18/h1-6H,(H,19,20)
InChIKeyYEGSKBZMZFWZBW-UHFFFAOYSA-N
XLogP4.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 106766987
3-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
2-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877966
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
2-[[3-[4-(trifluoromethyl)anilino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112968284
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile (CID 102715383) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile is N#Cc1ccccc1Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is YEGSKBZMZFWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-11-5-9(13(15,16)17)6-12(20-11)19-10-4-2-1-3-8(10)7-18/h1-6H,(H,19,20).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 297.67 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 102715383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).