6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

C13H7ClF3N3 — CID 63668990

IUPAC6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C13H7ClF3N3/c14-10-5-9(13(15,16)17)2-3-11(10)20-12-4-1-8(6-18)7-19-12/h1-5,7H,(H,19,20)
InChIKeyHJBKEZOOCGRWGE-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.37
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (PubChem CID 63668990) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
PubChem CID63668990
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C13H7ClF3N3/c14-10-5-9(13(15,16)17)2-3-11(10)20-12-4-1-8(6-18)7-19-12/h1-5,7H,(H,19,20)
InChIKeyHJBKEZOOCGRWGE-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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (CID 63668990) is 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)nc1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is HJBKEZOOCGRWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-10-5-9(13(15,16)17)2-3-11(10)20-12-4-1-8(6-18)7-19-12/h1-5,7H,(H,19,20).
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile 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 6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 63668990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).