2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile

C14H9ClF3N3 — CID 83077729

IUPAC2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1ccc(C(F)(F)F)cc1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H9ClF3N3/c1-8-2-3-10(14(16,17)18)6-11(8)20-13-5-9(7-19)4-12(15)21-13/h2-6H,1H3,(H,20,21)
InChIKeyCWVBUXFVDAEVAU-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile

2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile (PubChem CID 83077729) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
PubChem CID83077729
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1ccc(C(F)(F)F)cc1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H9ClF3N3/c1-8-2-3-10(14(16,17)18)6-11(8)20-13-5-9(7-19)4-12(15)21-13/h2-6H,1H3,(H,20,21)
InChIKeyCWVBUXFVDAEVAU-UHFFFAOYSA-N
XLogP4.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile (CID 83077729) is 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile is Cc1ccc(C(F)(F)F)cc1Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The InChIKey is CWVBUXFVDAEVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c1-8-2-3-10(14(16,17)18)6-11(8)20-13-5-9(7-19)4-12(15)21-13/h2-6H,1H3,(H,20,21).
What are the key properties of 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile has a molecular weight of 311.69 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).