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

C13H7ClF3N3 — CID 65485739

IUPAC4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF3N3/c14-11-2-1-3-12(20-11)19-9-5-4-8(7-18)10(6-9)13(15,16)17/h1-6H,(H,19,20)
InChIKeyLAVLOBMATVVUPO-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.37
Rot. Bonds2

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

4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 65485739) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID65485739
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF3N3/c14-11-2-1-3-12(20-11)19-9-5-4-8(7-18)10(6-9)13(15,16)17/h1-6H,(H,19,20)
InChIKeyLAVLOBMATVVUPO-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

6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
CID 43138526
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 80829212
4-[(5-bromo-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65484365
4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
CID 107528654
4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320672
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-(5-chloro-2-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320684
4-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 114837184
2-[[4-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112906595

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile (CID 65485739) is 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F.
What is the InChIKey of 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is LAVLOBMATVVUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-11-2-1-3-12(20-11)19-9-5-4-8(7-18)10(6-9)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile?
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)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 4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 65485739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).